SCHEMBL9599982

SCHEMBL9599982

CC1C2CCCCC2C(=O)N1CC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.55
ACHE P22303 1/20 0.51
SLC6A3 Q01959 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 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
SCHEMBL8971172 0.88 CCR3 (0.49) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL8971180 0.88 CCR3 (0.49) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL8971088 0.81 CCR3 (0.57) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL8971084 0.81 CCR3 (0.57) CCR3ACHESLC6A3HTR2AHTR2C
SCHEMBL9599973 0.78 CCR3 (0.54) CCR3ACHESLC6A3HTR1ASLC6A4
SCHEMBL8970113 0.76 CCR3 (0.47) CCR3ACHEHTR2A
SCHEMBL8970124 0.76 CCR3 (0.47) CCR3ACHEHTR2A
SCHEMBL8970108 0.76 CCR3 (0.47) CCR3ACHEHTR2A
SCHEMBL8971056 0.75 CCR3 (0.77) CCR3ACHE
SCHEMBL9427623 0.72 CCR3 (0.56) CCR3ACHEHTR2AHTR2CKCNH2

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
WO-1993022310-A1 (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-11 WO disclosed