SCHEMBL3963877

SCHEMBL3963877

C[C@@H](NCCc1cccc(Cl)c1)c1ccc(Cl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ SLC2A1 P11166 4/20 0.47
▸ PNMT P11086 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HAT1 O14929 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ AOC3 Q16853 1/20 0.38

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
SCHEMBL8192497 0.76 CASR (0.46) SLC2A1ALDH1A1SMN1; SMN2CASRCYP2D6
SCHEMBL3963876 0.76 CASR (0.46) SLC2A1ALDH1A1SMN1; SMN2CASRCYP2D6
SCHEMBL3963878 0.76 TAAR1 (0.54) TAAR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL12000669 0.76 TAAR1 (0.66) TAAR1SLC2A1PNMTKMT2AMEN1
Hydrochloric Acid SCHEMBL16930403 0.74 NOS1 (0.66) TAAR1SLC2A1
SCHEMBL31424066 0.70 CASR (0.67) SLC2A1CASR
SCHEMBL8162339 0.70 CASR (0.67) SLC2A1CASR
SCHEMBL15130942 0.70 CASR (0.67) SLC2A1CASR
SCHEMBL6221598 0.70 CASR (0.67) SLC2A1CASR
SCHEMBL3961413 0.69 KMT2A (0.67) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2

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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