SCHEMBL17090231

SCHEMBL17090231

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2ccc(C(=O)NC3CCCCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.49
MAPK14 Q16539 4/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CRHR1 P34998 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HSPB1 P04792 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK11 Q15759 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL11935324 1.00 LMNA (0.53) LMNAKMT2AMAPK14NPC1RAB9A
SCHEMBL13439007 0.88 CRHR1 (0.55) LMNAKMT2AMAPK14NPC1RAB9A
SCHEMBL11935327 0.88 CRHR1 (0.55) LMNAKMT2AMAPK14NPC1RAB9A
SCHEMBL13438995 0.86 MAPK14 (0.46) KMT2AMAPK14CRHR1ALDH1A1NAMPT
SCHEMBL11935305 0.86 MAPK14 (0.46) KMT2AMAPK14CRHR1ALDH1A1NAMPT
SCHEMBL17090002 0.86 KDM1A (0.40) LMNAKMT2AMAPK14CRHR1HSPB1
SCHEMBL17090417 0.85 LMNA (0.53) LMNAKMT2AMAPK14NPC1RAB9A
SCHEMBL17090128 0.84 MEN1 (0.43) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13565746 0.84 MEN1 (0.43) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17090356 0.82 ALDH1A1 (0.53) LMNAKMT2ASMN1; SMN2HPGDALDH1A1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed