SCHEMBL2932813

SCHEMBL2932813

O=C(O)CN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)C1CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRD1 P41143 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPT P10636 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
BLM P54132 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2941205 0.96 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL2938912 0.83 CYP3A4 (0.42) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL2941530 0.82 HPGD (0.43) MEN1KMT2ATSHRALDH1A1HPGD
SCHEMBL2943556 0.82 LMNA (0.49) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2940845 0.82 GRM5 (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2934172 0.82 CYP2C9 (0.53) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL2934783 0.82 CCR5 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1803393 0.81 CCR5 (0.49) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4041414 0.81 KMT2A (0.46) MEN1KMT2ATSHRALDH1A1HPGD
SCHEMBL2934834 0.80 NPC1 (0.48) TSHRALDH1A1HPGDMAPTLMNA

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-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed