SCHEMBL7216889

SCHEMBL7216889

CCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c(C)n1CCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.66
CNR1 P21554 1/20 0.61
TACR2 P21452 2/20 0.48
TRPV4 Q9HBA0 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
HSP90AA1 P07900 1/20 0.44
TACR3 P29371 1/20 0.44

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
SCHEMBL7217580 0.90 CNR2 (0.69) CNR2CNR1TACR2TRPV4CYP3A4
SCHEMBL7223448 0.81 CNR2 (0.65) CNR2CNR1TACR2TRPV4CYP3A4
SCHEMBL7224460 0.79 CNR2 (1.00) CNR2CNR1
SCHEMBL7216928 0.77 CNR2 (0.84) CNR2CNR1
SCHEMBL7218591 0.77 CNR2 (0.81) CNR2CNR1POLB
SCHEMBL7216755 0.77 CNR2 (0.81) CNR2CNR1CYP3A4
SCHEMBL7224182 0.77 CNR2 (0.61) CNR2CNR1TACR2CYP3A4CYP2D6
SCHEMBL7218551 0.76 CNR2 (0.60) CNR2CNR1TACR2TRPV4
SCHEMBL7217492 0.76 CNR2 (1.00) CNR2CNR1
SCHEMBL7223450 0.76 CNR2 (1.00) CNR2CNR1

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed