SCHEMBL13565670

SCHEMBL13565670

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
HTT P42858 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM1A O60341 2/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 2/20 0.41
AKR1C3 P42330 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
F10 P00742 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
SCHEMBL13565847 0.97 PKM (0.44) USP2HTTLMNAALDH1A1KDM1A
SCHEMBL13565864 0.84 USP2 (0.43) USP2HTTLMNAALDH1A1KDM1A
SCHEMBL10115167 0.84 ALDH1A1 (0.43) USP2LMNAALDH1A1PKMSMN1; SMN2
SCHEMBL13565486 0.83 MAPT (0.44) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL13564869 0.82 MAPT (0.43) HTTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL10115153 0.81 SMN1; SMN2 (0.44) USP2HTTLMNAALDH1A1PKM
SCHEMBL13566034 0.81 PKM (0.44) USP2HTTLMNAALDH1A1KDM1A
SCHEMBL11935578 0.81 JAK2 (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL11935685 0.80 KDM1A (0.46) USP2HTTLMNAALDH1A1KDM1A
SCHEMBL11934919 0.80 MAPT (0.41) HTTLMNAALDH1A1TSHRSMN1; 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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed