SCHEMBL5315451

SCHEMBL5315451

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM1A O60341 4/20 0.39
RIPK1 Q13546 1/20 0.39
FPR3 P25089 4/20 0.38
FPR2 P25090 4/20 0.38
CACNA1H O95180 3/20 0.37
CACNA1C Q13936 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 2/20 0.37
YAP1 P46937 1/20 0.37
TEAD4 Q15561 1/20 0.37
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 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
SCHEMBL4126563 0.94 SLC6A3 (0.44) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL4126559 0.94 SLC6A3 (0.44) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL4133943 0.91 HTR2C (0.48) HTR2CHTR2BSLC6A4SLC6A3KDM1A
SCHEMBL4133947 0.91 HTR2C (0.48) HTR2CHTR2BSLC6A4SLC6A3KDM1A
SCHEMBL5316467 0.89 CNR1 (0.45) HTR2CHTR2BHTR2AKDM1AFPR3
SCHEMBL5314514 0.88 BCL2 (0.44) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5315320 0.85 HTR2C (0.50) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL4127041 0.84 HTR2C (0.56) HTR2CHTR2BHTR2ARIPK1
SCHEMBL4127039 0.84 HTR2C (0.56) HTR2CHTR2BHTR2ARIPK1
SCHEMBL4126477 0.83 HTR2C (0.48) HTR2CKDM1AMAOBMAOA

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