SCHEMBL9819722

SCHEMBL9819722

O=C(NC(CO)C(=O)N1CCN(CCCc2ccccc2)CC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TPSAB1 Q15661 2/20 0.52
FAAH O00519 1/20 0.51
CHRM3 P20309 1/20 0.51
SIGMAR1 Q99720 5/20 0.50
TGM2 P21980 3/20 0.49
OPRK1 P41145 1/20 0.48
CASP1 P29466 1/20 0.47

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
SCHEMBL9483363 0.85 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL30101231 0.81 P2RX7 (0.51) TGM2
SCHEMBL9483544 0.80 ITGB3 (0.59) ITGB3ITGA2BOPRK1
SCHEMBL11257246 0.79 TACR1 (0.63) TGM2
SCHEMBL11257249 0.79 TACR1 (0.63) TGM2
SCHEMBL30054191 0.78 CTSL (0.56) TGM2
SCHEMBL11232416 0.77 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL10997466 0.77 CTSK (0.54) TGM2CASP1
SCHEMBL9819756 0.76 OPRK1 (0.65) FAAHCHRM3SIGMAR1OPRK1
SCHEMBL8750811 0.75 TACR1 (0.60) ITGB3ITGA2BOPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed