SCHEMBL6167848

SCHEMBL6167848

CC(C)(O)c1ccc(Br)c2occc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
CDC14B O60729 1/20 0.30
CDC14A Q9UNH5 1/20 0.30

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
SCHEMBL5987754 0.78 HTR2C (0.43) HTR2CCDC14BCDC14A
SCHEMBL31333134 0.74 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL31553097 0.74 HTR2A (0.35) HTR2CHTR2AHTR2B
SCHEMBL4995601 0.71 IDO1 (0.33) HTR2CHTR2AHTR2B
SCHEMBL5153438 0.71 HTR2A (0.35) HTR2CHTR2AHTR2B
SCHEMBL15538116 0.69 RXFP1 (0.42) CDC14BCDC14A
SCHEMBL26778135 0.69 HTR2C (0.34) HTR2C
SCHEMBL31417703 0.67 HTR2A (0.32) HTR2CHTR2AHTR2B
SCHEMBL6334685 0.67 CYP1A2 (0.33) HTR2CHTR2AHTR2B
SCHEMBL3596610 0.67 HTR2A (0.32) HTR2CHTR2AHTR2B

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-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed