SCHEMBL8097236

SCHEMBL8097236

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.44
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 3/20 0.43
CCR2 P41597 1/20 0.42
KMT2A Q03164 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
CHRM4 P08173 2/20 0.39
PRKAA2 P54646 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
RECQL P46063 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
SCHEMBL8097418 0.88 FNTA (0.42) CCR5FNTAFNTBPGGT1BGPBAR1
SCHEMBL446560 0.85 FNTA (0.45) CCR5FNTAFNTBPGGT1BCCR2
SCHEMBL8097241 0.85 GPBAR1 (0.48) FNTAFNTBPGGT1BCCR2GPBAR1
SCHEMBL8535449 0.85 GPBAR1 (0.48) FNTAFNTBPGGT1BCCR2GPBAR1
SCHEMBL8095468 0.82 FNTA (0.43) CCR5FNTAFNTBPGGT1BCCR2
SCHEMBL8095888 0.82 FNTA (0.42) CCR5FNTAFNTBPGGT1BCCR2
SCHEMBL8097456 0.80 FNTA (0.44) CCR5FNTAFNTBPGGT1BKMT2A
SCHEMBL8101380 0.80 FNTA (0.43) CCR5FNTAFNTBPGGT1BCCR2
SCHEMBL8097931 0.80 KMT2A (0.51) CCR5FNTAFNTBPGGT1BCCR2
SCHEMBL8095560 0.79 FNTA (0.41) CCR5FNTAFNTBPGGT1BCCR2

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