SCHEMBL17733591

SCHEMBL17733591

COC1=CC(Cl)C(Cl)C=C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 1/20 0.38
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL11928883 0.70 MRGPRX2 (0.40) MRGPRX2MAOAMAOB
SCHEMBL25015134 0.70 MRGPRX2 (0.40) MRGPRX2MAOAMAOB
SCHEMBL8297090 0.67
SCHEMBL19075425 0.65 MRGPRX2 (0.37) MRGPRX2MAOAMAOB
SCHEMBL19141400 0.65 MRGPRX2 (0.37) MRGPRX2MAOAMAOB
SCHEMBL19597416 0.64
SCHEMBL19723365 0.64 MRGPRX2 (0.36) MRGPRX2
SCHEMBL24633930 0.62
SCHEMBL19647606 0.61 MRGPRX2 (0.34) MRGPRX2MAOAMAOB
SCHEMBL18034707 0.60 MRGPRX2 (0.33) MRGPRX2

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-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed