SCHEMBL6583258

SCHEMBL6583258

Cc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
GPR119 Q8TDV5 10/20 0.49
WNT3A P56704 1/20 0.49
TGFBR1 P36897 2/20 0.48
FAAH O00519 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRIN2B Q13224 1/20 0.47
BRD4 O60885 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47

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
SCHEMBL19462421 0.88 KDM4E (0.52) KDM4EPKMGPR119TGFBR1FAAH
SCHEMBL6148442 0.85 CYP2D6 (0.64) KDM4EPKMGPR119TGFBR1CYP2D6
SCHEMBL1874817 0.83 ALDH1A1 (0.61) GPR119WNT3A
SCHEMBL12696614 0.81 FAAH (0.51) KDM4EPKMGPR119WNT3AFAAH
SCHEMBL12205335 0.81 KDM4E (0.55) KDM4EPKMGPR119TGFBR1CYP2D6
SCHEMBL3087666 0.80 KDM4E (0.70) KDM4EPKMGPR119TGFBR1CYP2D6
SCHEMBL19462008 0.80 KDM4E (0.52) KDM4EPKMGPR119TGFBR1FAAH
SCHEMBL3032509 0.79 TGFBR1 (0.56) KDM4EPKMGPR119TGFBR1
SCHEMBL641072 0.79 ALDH1A1 (0.53) GPR119WNT3ABRD4
SCHEMBL18664141 0.79 TGFBR1 (0.56) KDM4EPKMGPR119TGFBR1

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
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed