SCHEMBL11512488

SCHEMBL11512488

COc1ccc(Oc2ccc(C3CCCN3C(C)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ OPRK1 P41145 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ SCD5 Q86SK9 2/20 0.40
▸ SCD O00767 1/20 0.40

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
SCHEMBL11509425 0.89 SCN3A (0.48) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL11510688 0.89 SCN3A (0.43) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL11509550 0.88 SCN3A (0.43) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL24775507 0.84 HSD17B10 (0.50) HSD17B10MEN1KMT2ASCN3AALDH1A1
SCHEMBL11511652 0.78 CHRNB2 (0.57) HSD17B10OPRK1OPRM1
SCHEMBL11510005 0.77 PARP14 (0.46) SCN3AROCK2
SCHEMBL11509496 0.76 OPRK1 (0.62) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL11509465 0.74 OPRK1 (0.58) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL11512485 0.74 OPRK1 (0.57) HSD17B10OPRK1OPRM1MEN1KMT2A
SCHEMBL8034151 0.73 CHRNB2 (0.50) MEN1KMT2ASCN3AALDH1A1

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-4161529-A Phenoxy phenyl pyrrolidine compounds, compositions and methods of use SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1979-07-17 — — US disclosed
Send feedback