SCHEMBL23201613

SCHEMBL23201613

CCOc1ncccc1-c1ccccc1C(=O)N[C@@H]1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 6/20 0.51
ALDH1A1 P00352 3/20 0.47
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
MC2R Q01718 1/20 0.46
PBK Q96KB5 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACP1 P24666 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL1753370 0.83 CNR2 (0.49) DGAT2CNR2CNR1PBKMEN1
SCHEMBL31077928 0.82 DGAT2 (0.49) DGAT2ALDH1A1MC2RPBKACP1
SCHEMBL31077879 0.82 MC2R (0.58) DGAT2MC2RACP1
SCHEMBL28598280 0.80 USP2 (0.58) DGAT2ALDH1A1MEN1KMT2A
SCHEMBL28598281 0.80 USP2 (0.58) DGAT2ALDH1A1MEN1KMT2A
SCHEMBL10107496 0.76 CNR2 (0.54) DGAT2ALDH1A1CNR2CNR1MEN1
SCHEMBL1753334 0.73 CNR2 (0.55) ALDH1A1CNR2CNR1MEN1KMT2A
SCHEMBL23201615 0.72 L3MBTL1 (0.52) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL10107630 0.71 CNR2 (0.51) DGAT2ALDH1A1CNR2CNR1
SCHEMBL1753490 0.71 DRD4 (0.55) L3MBTL1MEN1KMT2A

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-3802500-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-04-14 EP claimed