SCHEMBL13627342

SCHEMBL13627342

COc1cc(Nc2ccccc2)cc2c1N(C)C[C@H]1CNC[C@@H]21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
MCHR1 Q99705 2/20 0.34
MCHR2 Q969V1 1/20 0.33
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BPTF Q12830 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
GNAI3 P08754 1/20 0.31
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
APP P05067 1/20 0.30
PDGFRB P09619 1/20 0.30
CHRNA4 P43681 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
SCHEMBL4482834 1.00 BRAF (0.34) BRAFMCHR1MCHR2LMNAKDM4E
SCHEMBL4472029 0.85 BPTF (0.33) HPGDBPTFOPRM1OPRD1OPRK1
SCHEMBL13627330 0.85 BPTF (0.33) HPGDBPTFOPRM1OPRD1OPRK1
SCHEMBL4473434 0.84 EGFR (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13627343 0.84 EGFR (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4482788 0.81 EPHA2 (0.37) KDM4EPDGFRB
SCHEMBL13627344 0.81 EPHA2 (0.37) KDM4EPDGFRB
SCHEMBL4482987 0.81 EPHA2 (0.37) KDM4EPDGFRB
SCHEMBL13627345 0.78 UTS2R (0.40) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4488827 0.78 UTS2R (0.40) LMNAALDH1A1MEN1KMT2ACYP3A4

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
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed