SCHEMBL8971264

SCHEMBL8971264

O=C1C2=C(CCCC2)CN1CC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.53
ACHE P22303 2/20 0.45
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8971056 0.77 CCR3 (0.77) CCR3ACHE
SCHEMBL8971084 0.76 CCR3 (0.57) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL8971088 0.76 CCR3 (0.57) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL8971012 0.73 ADRA1D (0.61) CCR3ACHE
SCHEMBL9427623 0.72 CCR3 (0.56) CCR3ACHEHTR2AHTR2CKCNH2
SCHEMBL9427625 0.72 CCR3 (0.56) CCR3ACHEHTR2AHTR2CKCNH2
SCHEMBL5660124 0.72 HTR2A (0.67) ACHEHTR2A
Hydrochloric Acid SCHEMBL5657727 0.71 HTR2A (0.66) ACHEHTR2AKCNH2
SCHEMBL3149631 0.70 CCR3 (0.73) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL2557120 0.70 CCR3 (0.46) CCR3ACHESLC6A3HTR2A

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