SCHEMBL8992358

SCHEMBL8992358

O=C1C=CCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC4 P56524 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.32
AKR1C1 Q04828 2/20 0.32
CACNA1F O60840 1/20 0.32
MAPT P10636 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CACNA1D Q01668 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32

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
SCHEMBL8992349 0.79 MAOB (0.34) OPRM1OPRL1OPRK1MAPTKCNH2
SCHEMBL11237119 0.74 HDAC4 (0.33) HDAC4OPRM1OPRL1OPRK1
SCHEMBL2153575 0.72 KMT2A (0.36) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL15657386 0.69 CFTR (0.45) CYP2C9MEN1KMT2AOPRM1OPRL1
SCHEMBL6603582 0.65 ALDH1A1 (0.38) CYP2C9MEN1KMT2AHDAC4ALDH1A1
SCHEMBL29369468 0.65 MAPT (0.32) ALDH1A1MAPTPOLBTSHRTDP1
SCHEMBL576510 0.64 KMT2A (0.40) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL11489569 0.64 MEN1 (0.50) CYP2C9MEN1KMT2AOPRM1OPRL1
SCHEMBL29883511 0.62 MEN1 (0.48) CYP2C9MEN1KMT2AOPRM1OPRL1
SCHEMBL28634495 0.61 OPRM1 (0.32) CYP2C9MEN1KMT2AHDAC4OPRM1

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