SCHEMBL23200063

SCHEMBL23200063

Cc1ccc(CNC(=O)NC2CC[C@H](c3ccc(Cl)cc3F)C2)o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.40
TRPV1 Q8NER1 11/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 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
SCHEMBL23200084 0.73 HPGD (0.58) ALDH1A1MAPTNPSR1HPGDKMT2A
SCHEMBL4981629 0.69 DRD4 (0.44) ALDH1A1MAPTHPGDKMT2AEPHX1
SCHEMBL433273 0.64 OPRL1 (0.59) OPRL1KMT2A
SCHEMBL25836749 0.62 RAB9A (0.53) ALDH1A1MAPTHPGDKMT2AEPHX1
SCHEMBL24632523 0.62 NPC1 (0.42) OPRL1TRPV1ALDH1A1KMT2AEPHX1
SCHEMBL18415480 0.61 ALDH1A1 (0.51) ALDH1A1MAPTHPGDKMT2A
SCHEMBL27171506 0.61 OPRL1 (0.54) OPRL1
SCHEMBL14465083 0.61 S1PR2 (0.51) ALDH1A1MAPTNPSR1HPGDKMT2A
SCHEMBL25836962 0.61 HPGD (0.46) ALDH1A1MAPTHPGDKMT2AEPHX1
SCHEMBL17731192 0.61 OPRL1 (0.50) OPRL1ALDH1A1KMT2ALMNA

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
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP disclosed