SCHEMBL8876567

SCHEMBL8876567

C#CCCCCCCCCCOc1c(C)cc(C#N)cc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.39
MAOB P27338 9/20 0.39
MAOA P21397 5/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL9523339 1.00 SCN8A (0.39) SCN8AMAOBMAOAMAPTMEN1
SCHEMBL8137092 0.94 SCN8A (0.41) SCN8AMAOBMAOAMAPTMEN1
SCHEMBL30123599 0.81 SCN8A (0.41) SCN8AMAPTMEN1KMT2ATHRA
SCHEMBL13623362 0.80 ALDH1A1 (0.35) SCN8AMAOBMAOAMAPTMEN1
SCHEMBL8552558 0.78 SCN8A (0.40) SCN8AMAPTKMT2AALDH1A1CYP1A2
SCHEMBL8554425 0.77 SCN8A (0.43) SCN8AMAPTMEN1KMT2ATHRA
SCHEMBL28412531 0.75 HTR1A (0.41) SCN8AMAPTKMT2AKDM4EALDH1A1
SCHEMBL24942168 0.74 KDM4E (0.49) SCN8AMEN1KMT2ATHRATHRB
SCHEMBL9520675 0.74 MAOB (0.36) SCN8AMAOBMAOAMAPT
SCHEMBL8138042 0.73 THRA (0.38) MAOBMAOAMEN1KMT2ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5349068-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1994-09-20 US disclosed
EP-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed