SCHEMBL7665102

SCHEMBL7665102

COc1cc(CC(c2ncc[nH]2)N2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)ccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.39
FNTB P49356 10/20 0.39
PGGT1B P53609 9/20 0.39
KCNH2 Q12809 5/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KCNJ1 P48048 3/20 0.36
MCHR1 Q99705 1/20 0.34
ROCK2 O75116 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8126797 0.97 FNTA (0.44) FNTAFNTBPGGT1BKCNH2DRD2
SCHEMBL3500646 0.89 FNTA (0.45) FNTAFNTBPGGT1BKCNH2DRD2
Hydrochloric Acid SCHEMBL7451876 0.88 FNTA (0.45) FNTAFNTBPGGT1BKCNH2DRD2
SCHEMBL3499753 0.88 DRD2 (0.38) FNTAFNTBPGGT1BKCNH2DRD2
SCHEMBL5547981 0.86 FNTA (0.40) FNTAFNTBPGGT1BKCNH2DRD2
Hydrochloric Acid SCHEMBL7657383 0.80 FNTA (0.41) FNTAFNTBPGGT1BKCNH2DRD2
SCHEMBL7665099 0.77 FNTA (0.52) FNTAFNTBPGGT1BKCNH2KCNJ1
SCHEMBL3518400 0.77 FNTA (0.47) FNTAFNTBPGGT1BKCNH2DRD2
SCHEMBL3502103 0.76 FNTA (0.45) FNTAFNTBPGGT1BKCNH2DRD2
Hydrochloric Acid SCHEMBL8088734 0.76 FNTA (0.51) FNTAFNTBPGGT1BKCNH2KCNJ1

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-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US claimed