SCHEMBL20198550

SCHEMBL20198550

C=C(C)c1cncc(CC)n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL15272578 0.80 MRGPRX4 (0.38) MRGPRX4
SCHEMBL2913539 0.76 MRGPRX4 (0.32) MRGPRX4
SCHEMBL1760358 0.76 HCAR2 (0.41) MRGPRX4
SCHEMBL830961 0.75 NOS3 (0.36)
SCHEMBL7573577 0.74 ADORA3 (0.42) MRGPRX4
SCHEMBL13771995 0.74 BAZ2B (0.42) MRGPRX4
SCHEMBL19836670 0.72 KCNH2 (0.38)
SCHEMBL24993307 0.72 P2RX7 (0.42) MRGPRX4
SCHEMBL14872363 0.72 MRGPRX4 (0.57) MRGPRX4
SCHEMBL22409169 0.71 CDK2 (0.41)

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-3033336-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-30 EP disclosed