SCHEMBL18610028

SCHEMBL18610028

COc1cccc(CNC(C)c2cc3ccccc3c(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 13/20 0.58
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ACP1 P24666 3/20 0.44
▸ POLB P06746 1/20 0.41

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
SCHEMBL18610027 0.89 CASR (0.45) CASRMEN1KMT2AACP1
SCHEMBL18610313 0.87 CASR (0.43) CASR
SCHEMBL18610025 0.83 CASR (0.50) CASRMEN1KMT2AACP1POLB
SCHEMBL18610135 0.77 ATM (0.41) CASRACP1POLB
SCHEMBL17945772 0.76 CASR (0.71) CASR
SCHEMBL18609838 0.76 ALDH1A1 (0.40) CASRACP1POLB
SCHEMBL18610024 0.76 CASR (0.42) CASRACP1
SCHEMBL18609844 0.75 CASR (0.39) CASRACP1POLB
SCHEMBL23587995 0.75 CASR (0.52) CASRMEN1KMT2AACP1POLB
SCHEMBL18609950 0.73 CASR (0.50) CASRMEN1KMT2APOLB

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
WO-2017037616-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2017-03-09 — — WO disclosed
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