SCHEMBL27645802

SCHEMBL27645802

CCc1cc2cc(F)ccc2n1C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
OPRM1 P35372 3/20 0.45
TMEM97 Q5BJF2 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3995292 0.89 ALDH1A1 (0.54) USP2TSHRHTTACHEDRD2
SCHEMBL4003775 0.78 CCR3 (0.59) DRD2HTR2A
SCHEMBL4002190 0.76 CCR3 (0.42) USP2TSHRHTTDRD2HTR2A
SCHEMBL4001388 0.76 CCR3 (0.40) DRD2OPRM1HTR2A
SCHEMBL3997513 0.75 CCR3 (0.50)
SCHEMBL13797764 0.74 CCR3 (0.45) TSHRDRD2DRD4TMEM97HTR2A
SCHEMBL4001652 0.74 CCR3 (0.47)
SCHEMBL13797763 0.74 CCR3 (0.42) DRD2
SCHEMBL13797758 0.74 CCR3 (0.56) DRD2HTR2A
SCHEMBL13797767 0.72 CCR3 (0.49) USP2DRD2HTR2A

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
CN-1882565-A Novel piperidine-substituted indoles-or hetero-derivatives thereof and their use as modulators of chemokine receptor (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2006-12-20 CN disclosed