SCHEMBL15468334

SCHEMBL15468334

C[C@@H]1C(=O)N2[C@H](C)CO[C@@H]2Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
NOTUM Q6P988 1/20 0.34
OPRM1 P35372 2/20 0.33
NSD2 O96028 1/20 0.33
G6PD P11413 1/20 0.33
CCR6 P51684 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL15468333 0.74 HTR2A (0.40) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL10060256 0.71 PRCP (0.38) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL14392106 0.71 PRCP (0.38) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL10079646 0.70 OPRM1 (0.35) PRCPOPRM1HTR2A
SCHEMBL10060283 0.70 OPRM1 (0.35) PRCPOPRM1HTR2A
SCHEMBL10079284 0.67 OPRM1 (0.42) PRCPOPRM1HTR2AHTR2CHTR2B
SCHEMBL13309683 0.66 AADAT (0.40) OPRM1NSD2G6PDCCR6
SCHEMBL22861976 0.65 BRD4 (0.45) BRD4CCL2OPRM1HTR2AHTR2C
SCHEMBL12747479 0.64 ACE (0.40) NSD2G6PDCCR6HTR2AHTR2C
SCHEMBL14170111 0.64 BRD4 (0.38) PRCPBRD4NOTUMOPRM1HTR2A

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-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed