SCHEMBL5314514

SCHEMBL5314514

CC(C)(C)OC(=O)NCC1CC1c1ccc(-c2ccncc2)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.44
BECN1 Q14457 4/20 0.44
CYP17A1 P05093 3/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
KDM1A O60341 2/20 0.38
LATS1 O95835 4/20 0.38
FPR3 P25089 2/20 0.37
FPR2 P25090 2/20 0.37
LATS2 Q9NRM7 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
SCHEMBL4126115 0.94 CYP17A1 (0.46) CYP17A1ACACBACACAKDM1ALATS1
SCHEMBL4126113 0.94 CYP17A1 (0.46) CYP17A1ACACBACACAKDM1ALATS1
SCHEMBL4133947 0.90 HTR2C (0.48) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL4133943 0.90 HTR2C (0.48) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5315451 0.88 HTR2C (0.40) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5316467 0.88 CNR1 (0.45) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL4126477 0.82 HTR2C (0.48) HTR2CKDM1A
SCHEMBL4126474 0.82 HTR2C (0.48) HTR2CKDM1A
SCHEMBL4133949 0.82 CNR1 (0.49) ACACBACACAHTR2CHTR2BKDM1A
SCHEMBL4126559 0.82 SLC6A3 (0.44) HTR2CHTR2BKDM1A

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