SCHEMBL12897166

SCHEMBL12897166

COc1ccccc1C1CCN(CC2CCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
HTR7 P34969 1/20 0.61
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.54
CCR2 P41597 1/20 0.53
GRM2 Q14416 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2C P28335 2/20 0.51

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
SCHEMBL12897454 0.99 DRD2 (0.64) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12897535 0.94 DRD2 (0.69) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12897167 0.88 DRD2 (0.61) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12896417 0.86 DRD2 (0.56) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12896482 0.85 MEN1 (0.64) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12897596 0.83 DRD2 (0.59) DRD2MEN1KMT2AHTR7ATM
SCHEMBL8304330 0.82 DRD2 (0.78) DRD2MEN1KMT2AHTR7ATM
SCHEMBL6505862 0.81 DRD2 (0.71) DRD2MEN1KMT2AHTR7ATM
SCHEMBL12896664 0.80 OPRM1 (0.53) DRD2MEN1KMT2ACCR2DRD4
SCHEMBL6068249 0.80 DRD2 (0.55) DRD2MEN1KMT2AHTR7ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed