SCHEMBL28439656

SCHEMBL28439656

O=C(CCN1CCNCC1)Nc1nccs1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.70
ALDH1A1 P00352 2/20 0.65
HRH1 P35367 1/20 0.65
TSHR P16473 1/20 0.65
LMNA P02545 1/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53
POLB P06746 1/20 0.51
KCNA5 P22460 6/20 0.51
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL654947 0.86 KCNA5 (0.59) LMNAKMT2AKCNA5
Hydrochloric Acid SCHEMBL207813 0.85 KCNA5 (0.58) LMNAKMT2AKCNA5
SCHEMBL6966188 0.77 HSD17B10 (0.48) MAPTALDH1A1HRH1TSHRLMNA
SCHEMBL28473283 0.76 CYP2D6 (0.55) MAPTALDH1A1TSHRLMNAMEN1
SCHEMBL31478747 0.75 MAPT (0.58) MAPTALDH1A1HRH1TSHRLMNA
SCHEMBL15480444 0.75 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL15134850 0.74 KCNA5 (0.69) LMNAKMT2AKCNA5
SCHEMBL15480447 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL15480450 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL15480445 0.74 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111467348-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propanamide derivative in preparation of medicine 温州医科大学 2020-07-31 CN claimed
CN-111450095-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2020-07-28 CN claimed
CN-109394764-B Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2021-01-15 CN disclosed
CN-109394764-B Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2021-01-15 CN disclosed
CN-109394764-B Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2021-01-15 CN disclosed
CN-111467348-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propanamide derivative in preparation of medicine 温州医科大学 2020-07-31 CN disclosed
CN-111467348-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propanamide derivative in preparation of medicine 温州医科大学 2020-07-31 CN disclosed
CN-111467348-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propanamide derivative in preparation of medicine 温州医科大学 2020-07-31 CN disclosed
CN-111450095-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2020-07-28 CN disclosed
CN-111450095-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2020-07-28 CN disclosed
CN-111450095-A Application of N- (thiazole-2-yl) -3- (piperazine-1-yl) propionamide compound in medicine preparation 温州医科大学 2020-07-28 CN disclosed