SCHEMBL8097418

SCHEMBL8097418

Cc1ncc([C@H](C)NC(=O)C2CCCN(C(c3ccccc3)c3ccccc3)C2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
PGGT1B P53609 3/20 0.42
CCR5 P51681 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM4 P08173 1/20 0.38
EP300 Q09472 3/20 0.37
PRKAA2 P54646 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8097236 0.88 CCR5 (0.44) FNTAFNTBPGGT1BCCR5GPBAR1
SCHEMBL8098226 0.85 FNTA (0.45) FNTAFNTBPGGT1BCCR5ALOX12
SCHEMBL8097422 0.85 GPBAR1 (0.49) FNTAFNTBPGGT1BGPBAR1ALDH1A1
SCHEMBL8434674 0.85 GPBAR1 (0.49) FNTAFNTBPGGT1BGPBAR1ALDH1A1
SCHEMBL8097915 0.80 FNTA (0.45) FNTAFNTBPGGT1BCCR5ALOX12
SCHEMBL7453431 0.74 FNTA (0.44) FNTAFNTBPGGT1BCCR5EP300
SCHEMBL7521521 0.74 FNTA (0.44) FNTAFNTBPGGT1BCCR5EP300
SCHEMBL8427986 0.73 FNTA (0.53) FNTAFNTBPGGT1BGPBAR1KCNH2
SCHEMBL8098229 0.73 FNTA (0.53) FNTAFNTBPGGT1BGPBAR1KCNH2
SCHEMBL446560 0.73 FNTA (0.45) FNTAFNTBPGGT1BCCR5ALOX12

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-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed