SCHEMBL11948857

SCHEMBL11948857

Cc1ccc2c(C3NCCc4ccccc43)c(C)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 7/20 0.55
GAA P10253 2/20 0.44
OPRM1 P35372 4/20 0.42
GID4 Q8IVV7 1/20 0.42
RECQL P46063 1/20 0.42
MAOA P21397 1/20 0.40
OPRK1 P41145 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11948844 0.88 PRCP (0.46) PRCPGAAOPRM1GID4RECQL
SCHEMBL6986104 0.87 PRCP (0.52) PRCPGAAGID4RECQLMAOA
SCHEMBL11948845 0.85 GID4 (0.56) PRCPGAAOPRM1GID4RECQL
SCHEMBL11948843 0.82 OPRM1 (0.44) PRCPGAAOPRM1GID4MAOA
SCHEMBL11948841 0.81 PRCP (0.47) PRCPGAAOPRM1GID4RECQL
SCHEMBL11948846 0.79 GID4 (0.57) PRCPGAAOPRM1GID4RECQL
SCHEMBL11948855 0.74 PRCP (0.48) PRCPGAAOPRM1GID4RECQL
SCHEMBL11948847 0.74 PRCP (0.50) PRCPGAAGID4RECQLMAOA
SCHEMBL4391473 0.72 KDM1A (0.45) PRCPGAARECQLMAOAALDH1A1
SCHEMBL11948848 0.72 GID4 (0.49) PRCPGAAOPRM1GID4RECQL

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