SCHEMBL8971012

SCHEMBL8971012

O=C1c2ccccc2C(=O)N1CC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
CCR3 P51677 3/20 0.60
ACHE P22303 3/20 0.60
OPRD1 P41143 2/20 0.58
CASP3 P42574 1/20 0.52

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
SCHEMBL8971088 0.84 CCR3 (0.57) CCR3ACHE
SCHEMBL8971084 0.84 CCR3 (0.57) CCR3ACHE
SCHEMBL9427625 0.83 CCR3 (0.56) CCR3ACHE
SCHEMBL9427623 0.83 CCR3 (0.56) CCR3ACHE
SCHEMBL5232218 0.81 ACHE (0.52) ADRA1DADRA1AADRA1BACHE
SCHEMBL14641272 0.80 ADRB2 (0.52) ACHE
SCHEMBL7441668 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BACHEOPRD1
SCHEMBL8667135 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BACHEOPRD1
SCHEMBL7441676 0.80 ADRA1D (0.51) ADRA1DADRA1AADRA1BACHEOPRD1
SCHEMBL6957478 0.79 ACHE (0.74) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480892-A SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-02 US disclosed
US-5356906-A (N-phthalimidoalkyl) piperidines useful as treatments for psychosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-18 US disclosed
WO-1993022310-A1 (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-11 WO disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 WO disclosed