SCHEMBL11380381

SCHEMBL11380381

N#Cc1cc2c(OCC(O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.64
ADRB2 P07550 5/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
OPRM1 P35372 7/20 0.50
ADRB1 P08588 3/20 0.50
ADRB3 P13945 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CHRM1 P11229 2/20 0.47
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL11395925 0.88 OPRL1 (0.71) OPRL1OPRM1
SCHEMBL7885693 0.84 OPRL1 (0.65) OPRL1ADRB2ADRB1ADRB3
SCHEMBL4805093 0.82 OPRL1 (0.69) OPRL1ADRB2OPRM1ADRB1ADRB3
SCHEMBL11647483 0.79 CHRM1 (0.69) OPRL1ADRB2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5984390 0.79 OPRL1 (0.75) OPRL1ADRB2ALDH1A1OPRM1ADRB1
SCHEMBL14571570 0.78 OPRL1 (0.59) OPRL1ADRB2OPRM1ADRB1ADRB3
SCHEMBL4802544 0.78 OPRL1 (0.66) OPRL1ADRB2ALDH1A1OPRM1ADRB1
SCHEMBL11651024 0.78 OPRL1 (1.00) OPRL1OPRM1ADRA1DADRA1AADRA1B
SCHEMBL4812163 0.78 OPRL1 (0.66) OPRL1ADRB2ALDH1A1OPRM1ADRB1
Hydrochloric Acid SCHEMBL4798788 0.77 OPRL1 (0.65) OPRL1ADRB2ALDH1A1OPRM1ADRB1

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-4304915-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1981-12-08 US claimed
US-4304915-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS SANDOZ LTD. (CH) 1981-12-08 US disclosed