SCHEMBL9819756

SCHEMBL9819756

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

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.65
SIGMAR1 Q99720 8/20 0.64
CHRM3 P20309 1/20 0.60
FAAH O00519 1/20 0.57
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53

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
SCHEMBL28128649 0.81 CHRM3 (0.70) SIGMAR1CHRM3FAAH
SCHEMBL9484550 0.81 OPRK1 (0.67) OPRK1SIGMAR1CHRM3FAAHHRH2
SCHEMBL9484534 0.81 OPRK1 (0.67) OPRK1SIGMAR1CHRM3FAAHHRH2
SCHEMBL27564901 0.80 SIGMAR1 (0.73) SIGMAR1CHRM3FAAH
SCHEMBL13149981 0.78 CHRM3 (0.65) OPRK1SIGMAR1CHRM3FAAH
SCHEMBL27597094 0.78 SIGMAR1 (0.70) SIGMAR1CHRM3FAAH
SCHEMBL27945272 0.77 OPRK1 (0.59) OPRK1SIGMAR1HRH2HRH1
Hydrochloric Acid SCHEMBL7982333 0.77 SIGMAR1 (0.97) SIGMAR1FAAH
SCHEMBL15961276 0.76 SIGMAR1 (0.91) SIGMAR1FAAH
SCHEMBL2962629 0.76 SIGMAR1 (1.00) SIGMAR1

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