SCHEMBL6853537

SCHEMBL6853537

COc1cc(CCCBr)c(OC)cc1CCCBr

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.50
TAAR1 Q96RJ0 4/20 0.50
HTR2C P28335 1/20 0.50
CYP19A1 P11511 1/20 0.43

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
SCHEMBL81884 0.81 APLNR (0.56) HTR2ATAAR1HTR2CCYP19A1
SCHEMBL6487286 0.79 ADRA1A (0.41) HTR2ATAAR1HTR2C
SCHEMBL24119648 0.79 HTR2A (0.61) HTR2ATAAR1HTR2C
SCHEMBL7265969 0.78 ALDH1A1 (0.51) HTR2ATAAR1HTR2C
SCHEMBL79353 0.77 TAAR1 (0.60) TAAR1
SCHEMBL30118964 0.77 TAAR1 (0.60) TAAR1
SCHEMBL5309312 0.77 HTR2A (0.70) HTR2ATAAR1HTR2C
SCHEMBL24783648 0.77 TRAP1 (0.56) HTR2ATAAR1
SCHEMBL24783635 0.77 TRAP1 (0.56) HTR2ATAAR1
SCHEMBL30859405 0.77 TRAP1 (0.56) HTR2ATAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 EP disclosed
US-6630128-B1 Insoluble support DESTINY PHARMA LIMITED (GB) 2003-10-07 US disclosed