SCHEMBL2564175

SCHEMBL2564175

Cn1cc(-c2ccccc2Cl)c(-c2ccc(OCCCO)cc2)c1C(=O)N1CCC(C(N)=O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
TACR2 P21452 8/20 0.38
TACR1 P25103 8/20 0.38
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DRD2 P14416 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1986735 0.84 CNR1 (0.45) CNR1CNR2TACR2TACR1
SCHEMBL1989951 0.81 CNR1 (0.46) CNR1CNR2TACR2TACR1
SCHEMBL12162983 0.78 TACR2 (0.41) CNR1CNR2TACR2TACR1HRH1
SCHEMBL1127599 0.76 CNR1 (0.49) CNR1CNR2TACR2TACR1
SCHEMBL476453 0.75 CNR1 (0.42) CNR1CNR2TACR2TACR1HRH1
SCHEMBL1846307 0.75 CNR1 (0.40) CNR1CNR2TACR2TACR1KCNH2
SCHEMBL1987560 0.75 CNR1 (0.43) CNR1CNR2TACR2TACR1HRH1
SCHEMBL1983795 0.73 CNR1 (0.46) CNR1CNR2TACR2TACR1
SCHEMBL1848918 0.73 CNR1 (0.45) CNR1CNR2TACR2TACR1KCNA5
SCHEMBL1990424 0.72 CNR1 (0.51) CNR1CNR2TACR2TACR1

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-2283008-B1 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2011-11-02 EP disclosed