SCHEMBL11948841

SCHEMBL11948841

Cc1ccc2ccc(O)cc2c1C1NCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.47
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.42
MAPT P10636 3/20 0.41
GID4 Q8IVV7 1/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11948862 0.87 PRCP (0.47) PRCPGAAMAOAMAPTHTR2A
SCHEMBL6986104 0.85 PRCP (0.52) PRCPGAAMAOAMAPTGID4
SCHEMBL11948846 0.83 GID4 (0.57) PRCPGAAMAOAGID4HTR2A
SCHEMBL11948857 0.81 PRCP (0.55) PRCPGAAMAOAGID4RECQL
SCHEMBL11948844 0.79 PRCP (0.46) PRCPGAAMAOAGID4HTR2A
SCHEMBL11948847 0.78 PRCP (0.50) PRCPGAAMAOAMAPTGID4
SCHEMBL11948845 0.77 GID4 (0.56) PRCPGAAMAOAGID4HTR2A
SCHEMBL11948843 0.76 OPRM1 (0.44) PRCPGAAMAOAMAPTGID4
SCHEMBL4120535 0.75 PRCP (0.50) PRCPGAAMAPTGID4MEN1
SCHEMBL4390310 0.75 GID4 (0.56) PRCPGAAMAOAGID4HTR2A

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