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SCHEMBL5316467

SCHEMBL5316467

CC(C)(C)OC(=O)NCC1CC1c1ccc(-c2ccc(Cl)cc2)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.45
▸ GAA P10253 1/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ DRD2 P14416 5/20 0.39
▸ FPR3 P25089 4/20 0.38
▸ FPR2 P25090 4/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 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
SCHEMBL4133946 0.94 CNR1 (0.49) CNR1GAAHTR2CHTR2BHTR2A
SCHEMBL4133949 0.94 CNR1 (0.49) CNR1GAAHTR2CHTR2BHTR2A
SCHEMBL4133947 0.91 HTR2C (0.48) CNR1HTR2CHTR2BDRD2FPR3
SCHEMBL4133943 0.91 HTR2C (0.48) CNR1HTR2CHTR2BDRD2FPR3
SCHEMBL5315451 0.89 HTR2C (0.40) HTR2CHTR2BHTR2AFPR3FPR2
SCHEMBL5314514 0.88 BCL2 (0.44) HTR2CHTR2BFPR3FPR2KDM1A
SCHEMBL5315275 0.85 HTR2C (0.50) CNR1GAAHTR2CHTR2BHTR2A
SCHEMBL4129089 0.84 HTR2C (0.56) CNR1GAAHTR2CHTR2BHTR2A
SCHEMBL4129091 0.84 HTR2C (0.56) CNR1GAAHTR2CHTR2BHTR2A
SCHEMBL4126559 0.83 SLC6A3 (0.44) GAAHTR2CHTR2BHTR2AKDM1A

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
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 — — WO disclosed