SCHEMBL8550552

SCHEMBL8550552

CC(=O)NCCNC(=O)C1CCN(c2ccncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.53
GPR119 Q8TDV5 1/20 0.50
KDM4E B2RXH2 11/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RIPK1 Q13546 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LSS P48449 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
CHRM4 P08173 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL8548048 0.83 ITGB3 (0.56) KDM4EHPGDALDH1A1HSD17B10CHRM4
SCHEMBL12639924 0.81 GPR119 (0.56) GPBAR1GPR119KDM4EPOLBRXFP1
SCHEMBL22770920 0.80 ALDH1A1 (0.48) KDM4EPOLBHPGDALDH1A1RXFP1
SCHEMBL22771168 0.79 L3MBTL1 (0.61) KDM4EPOLBHPGDALDH1A1CHRM4
SCHEMBL19658641 0.77 CKS1B (0.53) GPR119RXFP1RIPK1LSSCHRM4
SCHEMBL3861796 0.77 KDM4E (0.65) GPBAR1GPR119KDM4EALDH1A1RXFP1
SCHEMBL6181710 0.76 RIPK1 (0.58) GPBAR1GPR119KDM4EHPGDRIPK1
Hydrochloric Acid SCHEMBL1990072 0.75 RIPK1 (0.57) GPBAR1GPR119KDM4EHPGDRIPK1
SCHEMBL6180885 0.74 MAPT (0.53) GPR119KDM4EPOLBALDH1A1RIPK1
SCHEMBL6792902 0.74 PKM (0.52) GPBAR1KDM4EPOLBRIPK1HSD17B10

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
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed