SCHEMBL7780393

SCHEMBL7780393

Nc1cccc(C(NCCCc2ccccc2)c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A4 P31645 4/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 2/20 0.41
MTOR P42345 1/20 0.41
GRM7 Q14831 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR7 P34969 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7789152 0.84 SIGMAR1 (0.53) ALDH1A1LMNATSHRSIGMAR1
SCHEMBL7785087 0.84 RAB9A (0.52) MAOAMAOBRAB9AMTORGRM7
SCHEMBL1677375 0.79 MTOR (0.65) RAB9AMTORGRM7ALDH1A1LMNA
SCHEMBL7785046 0.77 TDP1 (0.49) RAB9ANPC1ALDH1A1TSHRPOLB
SCHEMBL17064544 0.76 ALDH1A1 (0.56) RAB9AMTORGRM7ALDH1A1LMNA
SCHEMBL31067625 0.74 MTOR (0.53) MAOAMAOBRAB9AMTORGRM7
SCHEMBL17064829 0.74 MTOR (0.53) MAOAMAOBRAB9AMTORGRM7
SCHEMBL7787602 0.73 ALDH1A1 (0.44) MAOBALDH1A1LMNAMAPTCHRM1
SCHEMBL7780395 0.73 MEN1 (0.42) SLC6A4ALDH1A1SLC6A2
SCHEMBL27530411 0.72 GRM8 (0.50) RAB9ANPC1ALDH1A1TP53POLB

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed