SCHEMBL8938356

SCHEMBL8938356

CC(=O)Nc1ccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR4 Q13639 1/20 0.42
DRD3 P35462 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8938423 0.89 OPRM1 (0.42) HTR2AKCNH2DRD3
SCHEMBL8938550 0.88 HTR2A (0.48) ALDH1A1HTR2A
SCHEMBL8938400 0.87 HRH3 (0.44) HRH3KMT2ALMNAMEN1
SCHEMBL8938187 0.85 CCR5 (0.47) CCR5HRH3ALDH1A1
SCHEMBL8938458 0.85 HRH3 (0.42) HRH3KMT2A
SCHEMBL8938244 0.84 OPRD1 (0.47) HRH3ALDH1A1
SCHEMBL8938245 0.84 KCNH2 (0.46) CCR5HRH3KMT2AALDH1A1LMNA
SCHEMBL8938519 0.83 KCNH2 (0.45) HRH3KMT2ALMNAKCNH2MEN1
SCHEMBL8938361 0.83 GBA1 (0.41) HRH3KCNH2DRD3
SCHEMBL8938514 0.83 HRH3 (0.42) HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534626-A SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST INTERMEDIATES PFIZER INC. (US) 1996-07-09 US disclosed
US-5410046-A Selective muscarinic receptor antagonists PFIZER INC. (US) 1995-04-25 US disclosed
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US disclosed
EP-0350309-B1 PIPERIDINE DERIVATIVES Pfizer Limited (GB) 1992-11-11 EP disclosed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed