SCHEMBL11511516

SCHEMBL11511516

O=C(O)CN1CCCC1c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
OPRK1 P41145 3/20 0.50
OPRM1 P35372 2/20 0.50
LTA4H P09960 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
RIPK1 Q13546 1/20 0.45
KDM2B Q8NHM5 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MMP3 P08254 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
Hydrochloric Acid SCHEMBL11510326 0.99 FFAR1 (0.51) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11511099 0.89 LTA4H (0.63) FFAR1OPRK1OPRM1LTA4H
SCHEMBL11509496 0.89 OPRK1 (0.62) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11510335 0.89 FFAR1 (0.54) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11511303 0.88 PARP14 (0.48) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11512490 0.85 MEN1 (0.48) FFAR1OPRK1OPRM1MEN1KMT2A
SCHEMBL11509424 0.83 CHRNB2 (0.46) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11511335 0.83 CHRNB2 (0.49) FFAR1OPRK1OPRM1LTA4HMEN1
SCHEMBL11511479 0.82 FFAR1 (0.45) FFAR1LTA4HMEN1KMT2AHPGD
SCHEMBL6092369 0.82 KDM4E (0.58) OPRK1OPRM1LTA4HMEN1KMT2A

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-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 claimed
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