SCHEMBL10693819

SCHEMBL10693819

CC(C)C1(c2cccc(O)c2)Cc2ccccc2N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.40
SIGMAR1 Q99720 4/20 0.37
EHMT2 Q96KQ7 1/20 0.35
OPRK1 P41145 5/20 0.34
RAD52 P43351 1/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL10691351 0.86 GPR55 (0.39) EHMT2RAD52
SCHEMBL10694802 0.83 BACE1 (0.44) OPRD1SIGMAR1OPRK1OPRM1
SCHEMBL10695401 0.79 RAD52 (0.42) EHMT2OPRK1RAD52OPRM1
SCHEMBL10693674 0.77 BACE1 (0.35)
SCHEMBL10691593 0.77 L3MBTL1 (0.42)
SCHEMBL10695891 0.75 OPRD1 (0.41) OPRD1OPRK1OPRM1
SCHEMBL10691597 0.72 ADRA1A (0.39) RAD52
SCHEMBL10692789 0.71 BACE1 (0.37) EHMT2
SCHEMBL2470209 0.66 NOTUM (0.46) EHMT2RAD52
SCHEMBL10694665 0.66 RAD52 (0.36) EHMT2OPRK1RAD52OPRM1

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-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0212216-A1 Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed