SCHEMBL8329434

SCHEMBL8329434

CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)CNCc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 10/20 0.89
▸ FNTB P49356 10/20 0.89
▸ OPRK1 P41145 4/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL8334563 1.00 FNTA (0.89) FNTAFNTBOPRK1CYP3A4CYP2C19
SCHEMBL8331731 0.94 FNTA (1.00) FNTAFNTBOPRK1
SCHEMBL8332904 0.89 FNTA (0.70) FNTAFNTBOPRK1CYP3A4CYP2C19
SCHEMBL8332984 0.89 FNTA (0.70) FNTAFNTBCYP3A4CYP2C19TSHR
SCHEMBL8332906 0.89 FNTA (0.70) FNTAFNTBOPRK1CYP3A4CYP2C19
SCHEMBL8330402 0.89 FNTA (0.89) FNTAFNTBOPRK1CYP3A4CYP2C19
SCHEMBL8332985 0.89 FNTA (0.70) FNTAFNTBCYP3A4CYP2C19TSHR
SCHEMBL9074248 0.88 FNTA (0.68) FNTAFNTBCYP3A4CYP2C19TSHR
SCHEMBL9074244 0.88 FNTA (0.68) FNTAFNTBCYP3A4CYP2C19TSHR
SCHEMBL8335730 0.87 FNTA (0.68) FNTAFNTBCYP3A4CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 — — EP claimed
EP-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP claimed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO claimed
EP-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 — — EP disclosed
EP-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
US-5585359-A LACK OF THIOL MOIETY PREVENTS THIOL-DEPENDENT CHEMICAL REACTIONS AND REDUCES SYSTEMIC TOXICITY MERCK & CO., INC. (US) 1996-12-17 — — US disclosed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 — — WO disclosed
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