SCHEMBL7785087

SCHEMBL7785087

Nc1cccc(C(NCCc2ccccc2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MTOR P42345 1/20 0.52
GRM7 Q14831 1/20 0.52
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.50
PRMT1 Q99873 1/20 0.48
SIGMAR1 Q99720 3/20 0.42
KCNH2 Q12809 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.42
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2C8 P10632 1/20 0.42

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
SCHEMBL7785046 0.88 TDP1 (0.49) RAB9ATSHRPRMT1SIGMAR1NPC1
SCHEMBL7616722 0.85 RAB9A (0.71) RAB9AMTORGRM7MAOAMAOB
SCHEMBL7780393 0.84 SLC6A3 (0.46) RAB9AMTORGRM7MAOAMAOB
SCHEMBL31067625 0.83 MTOR (0.53) RAB9AMTORGRM7MAOAMAOB
SCHEMBL17064829 0.83 MTOR (0.53) RAB9AMTORGRM7MAOAMAOB
SCHEMBL7789152 0.81 SIGMAR1 (0.53) TSHRSIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL17064544 0.79 ALDH1A1 (0.56) RAB9AMTORGRM7CYP3A4TSHR
SCHEMBL17064881 0.78 L3MBTL1 (0.49) RAB9AMTORGRM7MAOAMAOB
SCHEMBL31067567 0.78 L3MBTL1 (0.49) RAB9AMTORGRM7MAOAMAOB
SCHEMBL10647657 0.76 MAOA (0.43) MAOAMAOBTSHRPRMT1SIGMAR1

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