SCHEMBL10674388

SCHEMBL10674388

O=C(CCc1cc(-c2ccccc2)nc2ccccc12)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
NAAA Q02083 1/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MOK Q9UQ07 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 2/20 0.50
DHODH Q02127 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
SCHEMBL10675293 0.99 NAAA (0.54) CYP2C9NAAAKMT2AKDM4EL3MBTL1
SCHEMBL10682423 0.88 TSHR (0.64) KDM4EL3MBTL1MOKTDP1ALDH1A1
SCHEMBL10671292 0.80 PDE10A (0.58) CYP2C9KDM4EPOLBDHODH
Hydrochloric Acid SCHEMBL26649569 0.79 PDE10A (0.56) CYP2C9KDM4EPOLBDHODH
SCHEMBL10613513 0.79 ACP1 (0.61) CYP2C9KMT2AKDM4ETDP1NPC1
SCHEMBL10670717 0.78 NAAA (0.53) NAAAKMT2AKDM4EL3MBTL1TDP1
Hydrochloric Acid SCHEMBL10612258 0.78 ACP1 (0.60) CYP2C9KMT2AKDM4ETDP1NPC1
SCHEMBL10509237 0.78 KDM4E (0.55) CYP2C9KDM4EPOLBDHODH
SCHEMBL10612832 0.77 ACP1 (0.60) CYP2C9KMT2AKDM4ETDP1NPC1
SCHEMBL10761462 0.77 CYP2C9 (0.86) CYP2C9KMT2AMOKTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed