SCHEMBL13629812

SCHEMBL13629812

COCC(=O)N1CCN(CC(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 6/20 0.41
TSHR P16473 4/20 0.40
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 2/20 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
SCHEMBL14010813 0.84
SCHEMBL8402970 0.84 ALDH1A1 (0.51) GAAMAPTALDH1A1CYP2D6TSHR
SCHEMBL13033057 0.82 ATM (0.41) GAAALDH1A1TSHRALOX15HSD17B10
SCHEMBL12337282 0.81 KMT2A (0.49) MAPTALDH1A1CYP2D6CYP1A2KMT2A
SCHEMBL26075032 0.80 CYP2C19 (0.55) ALDH1A1CYP2D6TSHRCYP1A2HSD17B10
SCHEMBL14590566 0.80 ALDH1A1 (0.51) GAAMAPTALDH1A1CYP2D6TSHR
SCHEMBL24260095 0.79 TSHR (0.46) GAAMAPTALDH1A1CYP2D6TSHR
SCHEMBL772825 0.79 MAPT (0.43) GAAMAPTALDH1A1CYP2D6TSHR
SCHEMBL12226350 0.79 GAA (0.47) GAAMAPTALDH1A1TSHRALOX15
SCHEMBL26510147 0.79 GAA (0.47) GAAMAPTALDH1A1TSHRALOX15

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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed