SCHEMBL8992435

SCHEMBL8992435

CCN(CC)CC#CC(C)(C)NC1C=CC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
NPY2R P49146 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
KCNH2 Q12809 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL8992275 0.74 MAOB (0.32) KCNH2CHRM2CHRM1OPRM1HTR2B
Hydrochloric Acid SCHEMBL8992323 0.73 MAOB (0.33) KCNH2CHRM2CHRM1OPRM1HTR2B
SCHEMBL8992324 0.68 ATM (0.32) MEN1KMT2ACYP2D6LMNASLC6A2
Hydrochloric Acid SCHEMBL8992591 0.68 HTR2A (0.36) SLC6A2OPRM1HTR2B
Hydrochloric Acid SCHEMBL8992342 0.68 LMNA (0.37) LMNASMN1; SMN2CYP3A4OPRM1SIGMAR1
SCHEMBL8992408 0.67 ALDH1A1 (0.33) MEN1KMT2A
SCHEMBL8992411 0.66 ATM (0.34) KDM4E
Hydrochloric Acid SCHEMBL8992580 0.66 HTR2A (0.39) HTR2B
Hydrochloric Acid SCHEMBL8992469 0.64 SLC6A2 (0.40) MEN1KMT2AKDM4EPKMSLC6A2
SCHEMBL8992256 0.63 GAA (0.34) HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed