SCHEMBL8324221

SCHEMBL8324221

N#Cc1ccc(N(Cc2ccccc2)c2cncnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
SNCA P37840 1/20 0.41
MAOB P27338 3/20 0.41
CYP19A1 P11511 1/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 3/20 0.40
MAOA P21397 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NTRK1 P04629 1/20 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
SCHEMBL8328066 0.92 CYP19A1 (0.44) ARCRHBPCRHR2POLBCYP19A1
SCHEMBL8329428 0.86 MAOA (0.42) CRHBPCRHR2POLBMAOBCYP19A1
SCHEMBL8323103 0.86 ESR1 (0.49) MAOBCYP19A1MAOACYP11B1CYP11B2
SCHEMBL8325528 0.86 CYP19A1 (0.53) ARCRHBPCRHR2POLBNR3C1
SCHEMBL8326433 0.86 CYP19A1 (0.39) ARCRHBPCRHR2POLBCYP19A1
SCHEMBL27287580 0.84 CYP11B1 (0.44) ARMEN1KMT2ACYP19A1CYP11B1
SCHEMBL6063814 0.82 CYP19A1 (0.38) ARCYP19A1CYP11B1CYP11B2
SCHEMBL27282324 0.81 EGLN2 (0.38) CRHBPCRHR2CYP19A1CYP11B1CYP11B2
SCHEMBL8324619 0.80 KCNJ1 (0.46) ARNPC1CRHBPCRHR2POLB
SCHEMBL8323517 0.80 KCNJ1 (0.46) ARNPC1CRHBPCRHR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640595-B1 SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-03-24 EP disclosed
CN-1039228-C Novel substituted tert-amino compund YAMANOUCHI PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 EP disclosed
CN-1079962-A New substituted tertiary amine compound and salt thereof YAMANOUCHI PHARMA CO LTD (JP) 1993-12-29 CN disclosed