SCHEMBL11948844

SCHEMBL11948844

Cc1ccc2cc(Br)ccc2c1C1NCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.46
GAA P10253 1/20 0.43
GID4 Q8IVV7 1/20 0.40
RECQL P46063 1/20 0.40
MAOA P21397 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM1A O60341 2/20 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
SCHEMBL11948857 0.88 PRCP (0.55) PRCPGAAGID4RECQLMAOA
SCHEMBL4391473 0.85 KDM1A (0.45) PRCPGAARECQLMAOAHTR2A
SCHEMBL6986104 0.84 PRCP (0.52) PRCPGAAGID4RECQLMAOA
SCHEMBL11948845 0.83 GID4 (0.56) PRCPGAAGID4RECQLMAOA
SCHEMBL11948843 0.80 OPRM1 (0.44) PRCPGAAGID4MAOAOPRM1
SCHEMBL11948841 0.79 PRCP (0.47) PRCPGAAGID4RECQLMAOA
SCHEMBL11948846 0.77 GID4 (0.57) PRCPGAAGID4RECQLMAOA
SCHEMBL11948855 0.72 PRCP (0.48) PRCPGAAGID4RECQLMAOA
SCHEMBL11948847 0.72 PRCP (0.50) PRCPGAAGID4RECQLMAOA
SCHEMBL11948848 0.71 GID4 (0.49) PRCPGAAGID4RECQLMAOA

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-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed