SCHEMBL5777516

SCHEMBL5777516

O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 4/20 0.68
OPRM1 P35372 6/20 0.67
OPRK1 P41145 3/20 0.67
OPRL1 P41146 3/20 0.67
CHRM1 P11229 3/20 0.64
CYP2D6 P10635 2/20 0.64
DRD2 P14416 2/20 0.64
KCNH2 Q12809 2/20 0.64
MLNR O43193 1/20 0.64
LMNA P02545 1/20 0.64
PGR P06401 1/20 0.64
ADRB2 P07550 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRB1 P08588 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
GABRA1 P14867 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
CHRM3 P20309 1/20 0.64

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
SCHEMBL11430686 0.91 PLD2 (0.61) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL4439003 0.91 OPRM1 (0.69) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL4439034 0.91 OPRM1 (0.71) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL5848837 0.89 OPRM1 (0.71) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL4446720 0.88 PLD2 (0.72) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL11033245 0.87 PLD2 (0.71) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL11268724 0.87 OPRK1 (0.58) PLD2OPRM1OPRK1OPRL1CHRM1
SCHEMBL6953635 0.86 CHRM1 (0.85) PLD2OPRM1OPRK1OPRL1CHRM1
Hydrochloric Acid SCHEMBL11327865 0.86 ADRB2 (0.57) PLD2OPRM1OPRK1OPRL1CHRM1
Bromide SCHEMBL11034926 0.86 OPRK1 (0.57) PLD2OPRM1OPRK1OPRL1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed