SCHEMBL10183271

SCHEMBL10183271

Cn1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C2C(=O)N(C3CCCCC3)c3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CCKBR P32239 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL10183722 0.85 TP53 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10183670 0.81 TRPM8 (0.41) OPRM1OPRK1OPRL1NPSR1POLB
SCHEMBL10183227 0.80 MAPT (0.42) MAPTMEN1KMT2AMC4RMC5R
SCHEMBL10184173 0.78 OPRM1 (0.37) KMT2ACCKBROPRM1OPRK1OPRL1
SCHEMBL10183929 0.76 CHRM2 (0.43) MAPTMEN1KMT2AALDH1A1OPRM1
SCHEMBL10183302 0.76 PTAFR (0.41) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL10183922 0.74 HTR1A (0.36) MAPTMEN1KMT2AMC4RMC5R
SCHEMBL15119052 0.68 IDH1 (0.47) MEN1KMT2ALMNANPSR1
SCHEMBL10185583 0.67 OPRM1 (0.35) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10183925 0.67 TP53 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO disclosed
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