SCHEMBL9688089

SCHEMBL9688089

COc1ccc(CCNC(=O)C(F)(F)F)c2c1NC(=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.45
MTNR1B P49286 5/20 0.43
ALDH1A1 P00352 1/20 0.43
NQO2 P16083 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10923763 0.79 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1NQO2TP53
SCHEMBL10834075 0.75 TAAR1 (0.43)
SCHEMBL10923169 0.75 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1NQO2TP53
SCHEMBL10919751 0.74 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL9688747 0.74 ALDH1A1 (0.51) MTNR1AMTNR1BALDH1A1NQO2TP53
SCHEMBL7272227 0.73 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1TP53HSD17B10
SCHEMBL5076870 0.72 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1
SCHEMBL27229064 0.72 MTNR1A (0.65) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL10923168 0.72 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1NQO2CYP1A2
SCHEMBL9786035 0.71 SLC2A1 (0.47) MTNR1AMTNR1BALDH1A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
EP-0046666-B1 2(3H)-INDOLONES, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1986-04-23 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed
US-4414224-A 4-AMINO OR SUBSTITUTED AMINO-7-HYDROXY-2-(3H)-INDOLONES SMITHKLINE BECKMAN CORPORATION (US) 1983-11-08 US disclosed
EP-0046666-A1 2(3H)-indolones, process for their preparation and compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1982-03-03 EP disclosed
US-4314944-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS SMITHKLINE CORPORATION (US) 1982-02-09 US disclosed