SCHEMBL20439452

SCHEMBL20439452

CN1CCC(Oc2ccc(Br)cc2F)C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.53
PROKR1 Q8TCW9 1/20 0.53
HTR2C P28335 4/20 0.50
HTR2B P41595 4/20 0.50
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
UTS2R Q9UKP6 4/20 0.42

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
SCHEMBL13419295 0.84 HTR2C (0.55) FPR2PROKR1HTR2CHTR2BSLC6A4
SCHEMBL13419691 0.82 HTR2C (0.50) HTR2CHTR2BSLC6A4HTR6UTS2R
SCHEMBL30820568 0.82 NOS3 (0.45) HTR2CHTR2BSLC6A4HTR6UTS2R
SCHEMBL681762 0.82 UTS2R (0.49) UTS2R
SCHEMBL872104 0.82 UTS2R (0.49) UTS2R
SCHEMBL24714032 0.82 NOS3 (0.45) HTR2CHTR2BSLC6A4HTR6UTS2R
SCHEMBL873202 0.82 UTS2R (0.49) UTS2R
SCHEMBL16695161 0.81 FPR2 (0.49) FPR2PROKR1SLC6A4HTR6
SCHEMBL31697091 0.81 FPR2 (0.49) FPR2PROKR1SLC6A4HTR6
SCHEMBL20439354 0.80 ESR1 (0.45) FPR2PROKR1

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-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed