SCHEMBL5437692

SCHEMBL5437692

CCN1CCN(c2ccc(-c3ccco3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ACHE P22303 1/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK6 Q00534 1/20 0.38
RECQL P46063 2/20 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
SCHEMBL549193 0.81 SMN1; SMN2 (0.49) NPC1RAB9ACHRNA7KDM4EMAPT
SCHEMBL28852004 0.76 CHRNA7 (0.78) NPC1CHRNA7KDM4EMAPTGAA
SCHEMBL28269640 0.74 MAPT (0.50) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL20376700 0.74 MAPT (0.55) CHRNA7KDM4EMAPTGAARAD52
SCHEMBL2876202 0.72 ADRB1 (0.52) KDM4EKCNH2HRH3TAAR1HSD17B10
SCHEMBL12319455 0.69 CHRNA7 (0.79) RAB9ACHRNA7KDM4EMAPTGAA
SCHEMBL394300 0.69 TAAR1 (0.76) NPC1RAB9AKDM4EMAPTTAAR1
SCHEMBL30487922 0.67 TAAR1 (0.73) NPC1RAB9AKDM4EMAPTTAAR1
SCHEMBL2759898 0.67 TAAR1 (0.66) NPC1RAB9AKDM4EMAPTGAA
SCHEMBL1101883 0.64 CHRNA7 (1.00) CHRNA7KDM4EMAPTGAARAD52

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-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed