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SCHEMBL8097890

SCHEMBL8097890

CC(C)(C)NC(=O)C1CC(C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(CC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.37
▸ CCR5 P51681 3/20 0.35
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ EP300 Q09472 4/20 0.32
▸ HAT1 O14929 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL8097886 1.00 CYP19A1 (0.37) CYP19A1CCR5FNTAFNTBACKR3
SCHEMBL8097062 0.93 CYP19A1 (0.36) CYP19A1CCR5FNTAFNTBEP300
SCHEMBL8097065 0.93 CYP19A1 (0.36) CYP19A1CCR5FNTAFNTBEP300
SCHEMBL8103769 0.93 CYP19A1 (0.36) CYP19A1CCR5FNTAFNTBEP300
SCHEMBL446561 0.89 ALOX12 (0.40) CYP19A1CCR5CYP2D6OPRK1
SCHEMBL8088328 0.89 CYP19A1 (0.38) CYP19A1FNTAFNTBEP300HAT1
SCHEMBL8088333 0.89 CYP19A1 (0.38) CYP19A1FNTAFNTBEP300HAT1
SCHEMBL8095471 0.85 ATM (0.39) CYP19A1CCR5
SCHEMBL8097896 0.85 CYP19A1 (0.38) CYP19A1FNTAFNTBEP300HAT1
SCHEMBL8097903 0.85 CYP19A1 (0.38) CYP19A1FNTAFNTBEP300HAT1

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