SCHEMBL2931788

SCHEMBL2931788

CC1(Cl)CCCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 3/20 0.42
MC4R P32245 1/20 0.42
GAA P10253 1/20 0.41
ELANE P08246 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
OPRL1 P41146 1/20 0.40

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
SCHEMBL3272543 0.84 MEN1 (0.47) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL9301631 0.81 MEN1 (0.45) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL8936204 0.81 OPRL1 (0.46) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL5592149 0.81 OPRL1 (0.46) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL24696382 0.79 OPRL1 (0.45) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL26619967 0.79 SIGMAR1 (0.44) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL14827664 0.78 MEN1 (0.43) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL25000121 0.78 CYP2D6 (0.43) MEN1KMT2ASIGMAR1CYP3A4CYP2D6
SCHEMBL24316045 0.78 MEN1 (0.43) MEN1KMT2ASIGMAR1CYP3A4HSD17B10
SCHEMBL31105377 0.78 CYP2D6 (0.43) MEN1KMT2ASIGMAR1CYP3A4CYP2D6

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
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed