SCHEMBL10751640

SCHEMBL10751640

O=C(CCC1CCNCC1)c1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
HTR2C P28335 1/20 0.43
CNR2 P34972 5/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
HTR4 Q13639 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10751529 0.79 HTR4 (0.51) FAAHITGB3ITGA2BHTR4LMNA
SCHEMBL10752091 0.79 ALDH1A1 (0.50) CNR2MAOBKMT2AMAOAITGB3
SCHEMBL10869872 0.78 FAAH (0.45) FAAHHTR2CCNR2KMT2AMAOA
SCHEMBL1581866 0.75 ACHE (0.62) HTR2CHTR4
SCHEMBL10748667 0.74 ALDH1A1 (0.46) KMT2AMAOAITGB3ITGA2BHTR4
SCHEMBL27841342 0.74 RAB9A (0.52) CNR2RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL456356 0.72 RAB9A (0.43) CNR2RAB9A
SCHEMBL10750771 0.72 LMNA (0.45) HTR2CITGB3ITGA2BHTR4LMNA
Acetic Acid SCHEMBL10751879 0.72 ALDH1A1 (0.45) KMT2AMAOAITGB3ITGA2BHTR4
SCHEMBL11251566 0.72 KMT2A (0.68) KMT2AITGB3ITGA2BCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665076-A ANTIARRHYTHMIA AGENTS RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed