SCHEMBL3963878

SCHEMBL3963878

Clc1cccc(CCNCCc2ccc(Cl)c(Br)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.54
▸ NOS1 P29475 4/20 0.53
▸ NOS3 P29474 2/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CHRM2 P08172 1/20 0.49
▸ SIGMAR1 Q99720 3/20 0.47
▸ NOS2 P35228 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL3963109 0.78 GAA (0.56) HDAC1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3963877 0.76 TAAR1 (0.49) TAAR1HDAC1CYP2D6CYP2C19ALDH1A1
SCHEMBL3961413 0.76 KMT2A (0.67) HDAC1ALDH1A1KMT2AMEN1HPGD
SCHEMBL13911270 0.75 TAAR1 (0.68) TAAR1NOS1NOS3HDAC1CYP1A2
SCHEMBL12652039 0.75 TAAR1 (0.62) TAAR1NOS1NOS3HDAC1CYP1A2
SCHEMBL19352860 0.74 SIGMAR1 (0.62) TAAR1NOS1NOS3HDAC1CYP1A2
SCHEMBL13995331 0.73 TAAR1 (0.60) TAAR1NOS1NOS3HDAC1CYP1A2
SCHEMBL3963736 0.73 CYP1A2 (0.55) TAAR1NOS1NOS3HDAC1CYP1A2
SCHEMBL16562026 0.72 TAAR1 (0.69) TAAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2473716 0.71 TAAR1 (0.62) TAAR1NOS1NOS3HDAC1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 — — EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 — — WO disclosed
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