SCHEMBL7902547

SCHEMBL7902547

O=C1Nc2ccccc2-c2ccccc2N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.56
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
CHRM3 P20309 5/20 0.54
ACHE P22303 4/20 0.48
CHRM2 P08172 4/20 0.48
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL15847630 0.80 DRD2 (0.68) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL7012612 0.78 HTR2C (0.45) OPRL1OPRM1OPRK1DRD2MAPT
SCHEMBL250673 0.77 ACHE (0.69) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL7447387 0.75 OPRL1 (0.69) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL1861204 0.75 OPRM1 (0.55) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL1861203 0.75 OPRM1 (0.55) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL14450288 0.74 OPRL1 (0.64) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL5328133 0.74 OPRL1 (0.49) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL13016528 0.73 ACHE (0.67) OPRL1OPRM1OPRK1CHRM3ACHE
SCHEMBL3075361 0.73 OPRL1 (0.66) OPRL1OPRM1OPRK1CHRM3ACHE

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-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 US disclosed