SCHEMBL9257204

SCHEMBL9257204

COC(=O)C(C(N)=O)N(C(=O)c1ccc(C#N)cc1)c1cc(C(=O)O)ccc1NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CHRM4 P08173 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ FAAH O00519 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PRKAA2 P54646 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ CCR2 P41597 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
SCHEMBL9246140 0.76 ALDH1A1 (0.42) TSHRFAAHACHEALDH1A1CYP3A4
SCHEMBL9257194 0.69 CHRM4 (0.49) CHRM4DRD4MCHR1
Hydrochloric Acid SCHEMBL9254154 0.68 THRB (0.44) FAAHACHEALDH1A1MAPK1CYP2C19
Hydrochloric Acid SCHEMBL5358604 0.64 POLB (0.54) FAAHACHEALDH1A1CCR2
SCHEMBL9246132 0.63 LMNA (0.48) FAAHACHEALDH1A1HSD17B10DRD4
SCHEMBL63417 0.63 PRKAA2 (0.69) CHRM4TSHRPRKAA2CYP3A4MAPK1
SCHEMBL11605256 0.63 KMT2A (0.54) TSHRALDH1A1MAPT
SCHEMBL13149337 0.62 ALDH1A1 (0.70) TSHRFAAHALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11456687 0.62 KMT2A (0.53) TSHRALDH1A1
SCHEMBL2508098 0.61 TMEM97 (0.71) CHRM4TSHRPRKAA2CYP3A4MAPK1

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 — — US disclosed
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