SCHEMBL5771940

SCHEMBL5771940

O=c1[nH]c2ccccc2n1C1CCN(CC2CC2)CC1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.88
OPRL1 P41146 3/20 0.88
OPRK1 P41145 2/20 0.88
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CHRM1 P11229 3/20 0.65
PLD1 Q13393 1/20 0.65
DRD2 P14416 1/20 0.63
KCNH2 Q12809 1/20 0.63
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
CHRM3 P20309 1/20 0.62
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62

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
SCHEMBL6591096 0.95 OPRM1 (0.97) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL6585522 0.94 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4921324 0.94 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4913077 0.94 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL4922697 0.94 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL14186018 0.94 OPRM1 (1.00) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL12204966 0.92 OPRM1 (0.80) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL14515243 0.91 OPRM1 (0.78) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL8976901 0.90 OPRM1 (0.72) OPRM1OPRL1OPRK1CYP2D6CYP2C9
SCHEMBL8976895 0.90 OPRM1 (0.72) OPRM1OPRL1OPRK1CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US claimed
EP-0898568-B1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH AS (DK) 2006-10-04 EP disclosed
US-6180649-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S, HUNTINGTON, PARKINSON DISEASE NEROSEARCH A/S (DK) 2001-01-30 US disclosed
EP-0898568-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1999-03-03 EP disclosed
WO-1997040035-A1 1-(4-PIPERIDYL)-BENZIMIDAZOLES HAVING NEUROTROPHIC ACTIVITY NEUROSEARCH A/S (DK) 1997-10-30 WO disclosed