SCHEMBL11512490

SCHEMBL11512490

CCOC(=O)CN1CCCC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.47
OPRK1 P41145 3/20 0.47
OPRM1 P35372 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.44
FFAR1 O14842 1/20 0.44
TSHR P16473 2/20 0.43
CCR8 P51685 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MCHR2 Q969V1 1/20 0.43
MCHR1 Q99705 1/20 0.43
RIPK1 Q13546 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27984492 0.90 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27984087 0.86 KDM4E (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11511516 0.85 FFAR1 (0.52) MEN1KMT2AALDH1A1OPRK1OPRM1
Hydrochloric Acid SCHEMBL11510326 0.84 FFAR1 (0.51) MEN1KMT2AALDH1A1OPRK1OPRM1
SCHEMBL11511335 0.82 CHRNB2 (0.49) MEN1KMT2AALDH1A1OPRK1OPRM1
SCHEMBL11510335 0.80 FFAR1 (0.54) MEN1KMT2AOPRK1OPRM1HPGD
SCHEMBL6242317 0.78 CFB (0.48) MEN1KMT2AALDH1A1OPRK1OPRM1
SCHEMBL11509496 0.78 OPRK1 (0.62) MEN1KMT2AALDH1A1OPRK1OPRM1
SCHEMBL11509424 0.77 CHRNB2 (0.46) MEN1KMT2AALDH1A1OPRK1OPRM1
SCHEMBL11510126 0.76 RIPK1 (0.56) ALDH1A1FFAR1NPC1RAB9ARIPK1

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