SCHEMBL10885100

SCHEMBL10885100

O=C(Nc1ccccc1)SCCN1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.64
▸ CACNA1G O43497 2/20 0.59
▸ ATM Q13315 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GAA P10253 1/20 0.50

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
Hydrochloric Acid SCHEMBL10664719 0.99 FAAH (0.62) FAAHCACNA1GATMSIGMAR1NPC1
SCHEMBL10890218 0.93 CACNA1G (0.63) FAAHCACNA1GATMSIGMAR1NPC1
Hydrochloric Acid SCHEMBL10662984 0.92 CACNA1G (0.61) FAAHCACNA1GATMSIGMAR1NPC1
SCHEMBL10912688 0.85 FAAH (0.54) FAAHCACNA1GATMSIGMAR1
Hydrochloric Acid SCHEMBL10663950 0.84 CACNA1G (0.65) FAAHCACNA1GATMNPC1TP53
Hydrochloric Acid SCHEMBL10660475 0.83 CACNA1G (0.56) FAAHCACNA1GATMNPC1TP53
Hydrochloric Acid SCHEMBL10663046 0.83 FAAH (0.52) FAAHCACNA1G
SCHEMBL10886369 0.81 CACNA1G (0.61) FAAHCACNA1GATMNPC1TP53
Hydrochloric Acid SCHEMBL10662378 0.81 FAAH (0.61) FAAHCACNA1GNPC1TP53POLB
Hydrochloric Acid SCHEMBL10662908 0.81 CACNA1G (0.60) FAAHCACNA1GATMNPC1TP53

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
EP-0127182-B1 1-PHENYLALKYL-4-(MERCAPTO AND CARBAMYLTHIO)ALKYL-PIPERAZINES AND -HOMOPIPERAZINES AND THEIR USE IN THE TREATMENT OF ALLERGIC DISEASES Boehringer Ingelheim Pharmaceuticals Inc. (US) 1986-12-30 — — EP claimed
Send feedback