SCHEMBL9737787

SCHEMBL9737787

CCC1(CC)C=C(n2ccccc2=O)c2cc(C(N)=O)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 1/20 0.36
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PDK2 Q15119 1/20 0.34
HSD17B3 P37058 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
TDP2 O95551 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BRPF1 P55201 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10433122 0.87 F10 (0.40) F10OPRM1OPRD1OPRK1BAZ2B
SCHEMBL9733267 0.79 HTR1A (0.38) ALDH1A1
SCHEMBL9733195 0.77 HRH4 (0.34) F10HRH4
SCHEMBL9733318 0.76 S100A4 (0.38) F10PDK2TDP2HRH4NPC1
SCHEMBL9734695 0.76 KMT2A (0.40) F10PDK2TDP2ALDH1A1
SCHEMBL9733799 0.76 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9588567 0.75 F10 (0.41) F10BAZ2BBAZ2APDK2NPC1
SCHEMBL7277331 0.73 F10 (0.40) F10OPRM1OPRD1OPRK1KCNH2
SCHEMBL10433092 0.73 F10 (0.36) F10
SCHEMBL8085330 0.71 F10 (0.40) F10OPRM1OPRK1BAZ2BBAZ2A

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-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed