SCHEMBL12896451

SCHEMBL12896451

COc1ccccc1C1CCN(C2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
DRD2 P14416 1/20 0.58
ABCB1 P08183 1/20 0.58
MCOLN2 Q8IZK6 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
MCOLN1 Q9GZU1 1/20 0.56
HTR2C P28335 2/20 0.55
TRPV6 Q9H1D0 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
SLC18A3 Q16572 1/20 0.53
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.49

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
SCHEMBL7890862 0.98 MEN1 (0.61) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL12896742 0.98 MEN1 (0.61) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL12897136 0.98 MEN1 (0.61) MEN1KMT2ADRD2ABCB1MCOLN2
Hydrochloric Acid SCHEMBL7879546 0.97 MEN1 (0.60) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL4253600 0.91 ABCB1 (0.72) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL4253607 0.91 ABCB1 (0.72) MEN1KMT2ADRD2ABCB1HTR2C
SCHEMBL12897606 0.90 MEN1 (0.53) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL12896951 0.90 MEN1 (0.56) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL12896884 0.88 TRPV6 (0.56) MEN1KMT2ADRD2ABCB1MCOLN2
SCHEMBL12897643 0.87 ALDH1A1 (0.64) MEN1KMT2ADRD2ABCB1MCOLN2

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