SCHEMBL8369212

SCHEMBL8369212

CCC(C)C(CN(CC(=O)NC(CCSC)C(=O)OC)Cc1cccc2ccccc12)NCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.66
▸ FNTB P49356 8/20 0.66
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL8369213 1.00 FNTA (0.66) FNTAFNTBALDH1A1CYP3A4CYP2C19
SCHEMBL6056351 0.94 FNTA (0.74) FNTAFNTBCYP3A4
SCHEMBL6056346 0.94 FNTA (0.74) FNTAFNTBCYP3A4
SCHEMBL7624701 0.90 FNTA (0.52) FNTAFNTBALDH1A1
SCHEMBL7624707 0.90 FNTA (0.52) FNTAFNTBALDH1A1
Hydrochloric Acid SCHEMBL8369181 0.86 FNTA (0.66) FNTAFNTBCYP3A4CYP2C19KMT2A
Hydrochloric Acid SCHEMBL8365955 0.86 FNTA (0.66) FNTAFNTBCYP3A4CYP2C19KMT2A
SCHEMBL8329434 0.85 FNTA (0.89) FNTAFNTBCYP3A4CYP2C19
SCHEMBL8334563 0.85 FNTA (0.89) FNTAFNTBCYP3A4CYP2C19
SCHEMBL6056576 0.84 FNTA (0.61) FNTAFNTBCYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725650-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 — — EP claimed
EP-0725650-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-08-14 — — EP claimed
WO-1995009001-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 — — WO claimed
US-5576293-A TETRAPEPTIDES, ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-19 — — US disclosed
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