SCHEMBL9523014

SCHEMBL9523014

Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.69
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRNA7 P36544 1/20 0.51
NAMPT P43490 1/20 0.50
HPGD P15428 1/20 0.50
TRPV1 Q8NER1 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
SCHEMBL9522743 0.87 S1PR4 (0.58) S1PR4NPC1RAB9AKDM4EALDH1A1
SCHEMBL4138460 0.86 POLB (0.67) S1PR4NPC1RAB9AKDM4EMAPT
SCHEMBL15775319 0.85 KDM4E (0.59) S1PR4NPC1RAB9AKDM4EALDH1A1
SCHEMBL1815922 0.85 KDM4E (0.77) S1PR4NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11123393 0.85 RXFP1 (0.59) S1PR4NPC1RAB9AKDM4EALDH1A1
SCHEMBL9522953 0.85 S1PR4 (0.56) S1PR4NPC1RAB9AKDM4EALDH1A1
Ameltolide SCHEMBL635392 0.85 S1PR4 (0.56) S1PR4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2307872 0.85 S1PR4 (0.56) S1PR4KDM4EALDH1A1GAAMAPT
SCHEMBL9523578 0.84 S1PR4 (0.55) S1PR4NPC1RAB9AKDM4EALDH1A1
SCHEMBL7301820 0.84 SMN1; SMN2 (0.61) S1PR4NPC1RAB9AKDM4EALDH1A1

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
EP-0279633-B1 ANTICONVULSANT AGENTS ELI LILLY AND COMPANY (US) 1993-04-07 EP disclosed
US-4981866-A BENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1991-01-01 US disclosed
US-4939163-A 4-substituted benzamide derivatives ELI LILLY AND COMPANY (US) 1990-07-03 US disclosed
US-4835181-A Anticonvulsant agents using cyano dimethylphenyl benzamides ELI LILLY AND COMPANY (US) 1989-05-30 US disclosed
EP-0279633-A2 Anticonvulsant agents ELI LILLY AND COMPANY (US) 1988-08-24 EP disclosed