SCHEMBL6556838

SCHEMBL6556838

COc1cc(C)c(C)cc1CNCC(NC1CCCCC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 10/20 0.48
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8620048 0.99 SGPL1 (0.49) SGPL1GAAMEN1KMT2AKDM4E
SCHEMBL6556931 0.86 MEN1 (0.60) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL6556099 0.86 MEN1 (0.60) MEN1KMT2AKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL8620287 0.85 MEN1 (0.59) MEN1KMT2ATDP1L3MBTL1SMN1; SMN2
SCHEMBL6555294 0.85 MEN1 (0.61) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL6555183 0.85 CYP2D6 (0.49) SGPL1GAAMEN1KMT2AKDM4E
SCHEMBL8620404 0.84 CYP2D6 (0.50) SGPL1GAAMEN1KMT2AL3MBTL1
SCHEMBL7713389 0.83 TACR1 (0.48) SGPL1GAAMEN1KMT2AKDM4E
SCHEMBL6555248 0.83 MEN1 (0.61) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL8621981 0.82 TACR1 (0.48) SGPL1GAAMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP claimed
JP-2614408-B2 1997-05-28 JP claimed
WO-1993010073-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-05-27 WO claimed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
US-6376507-B1 NERVE SYSTEM DISORDERS, AMYOTROPIC LATERAL SCLEROSIS PFIZER INC. 2002-04-23 US disclosed
US-5750535-A Pharmaceutical agents for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1998-05-12 US disclosed
EP-0613458-B1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER (US) 1998-01-07 EP disclosed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 EP disclosed
EP-0721778-A2 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER INC. (US) 1996-07-17 EP disclosed
US-5521220-A Acyclic ethylenediamine derivatives PFIZER INC. (US) 1996-05-28 US disclosed
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO disclosed
US-5519033-A Azabicyclo derivatives for treatment of urinary incontinence PFIZER INC. (US) 1996-05-21 US disclosed
EP-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP disclosed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US disclosed
EP-0627221-A2 Substance P antagonists for the treatment of emesis PFIZER INC. (US) 1994-12-07 EP disclosed
US-5340826-A Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-23 US disclosed
EP-0610021-A1 Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-10 EP disclosed
WO-1993010073-A1 ACYCLIC ETHYLENEDIAMINE DERIVATIVES AS SUBSTANCE P RECEPTOR ANTAGONISTS PFIZER INC. (US) 1993-05-27 WO disclosed