SCHEMBL7362873

SCHEMBL7362873

N#Cc1ccc(CCCn2ccc3cc(N)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
P2RX7 Q99572 1/20 0.43
CYP19A1 P11511 2/20 0.41
PRKCI P41743 1/20 0.41
PLAU P00749 2/20 0.40
PLG P00747 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
DHFR P00374 1/20 0.39
SLC2A1 P11166 1/20 0.39
GRM2 Q14416 1/20 0.37
HTR6 P50406 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM1A O60341 2/20 0.36
ACACB O00763 1/20 0.36
CDC7 O00311 1/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36

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
SCHEMBL7360923 0.80 KCNJ1 (0.52) RORCP2RX7CYP19A1PLAUPLG
SCHEMBL17060376 0.74 PRKCI (0.49) RORCPRKCIPLAUHTR6CDK4
SCHEMBL5089820 0.73 PRKCI (0.56) PRKCIPLAUPLGHSD17B10CDK4
SCHEMBL30364718 0.73 PLAU (0.54) CYP19A1PLAUPLGHTR6
SCHEMBL14855116 0.73 PLAU (0.54) CYP19A1PLAUPLGHTR6
SCHEMBL6636265 0.73 BRPF1 (0.40) RORCPRKCIKCNJ1KCNH2TSHR
SCHEMBL17242442 0.72 P2RX7 (0.54) RORCP2RX7CYP19A1PLAUPLG
SCHEMBL9642642 0.72 LOXL2 (0.54) KCNJ1KCNH2TSHRHSD17B10
SCHEMBL7354891 0.72 NTSR1 (0.52) RORCTSHRHSD17B10
SCHEMBL6355917 0.71 PRKCI (0.46) CYP19A1PRKCIPLAUPLGHTR6

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed