SCHEMBL9840764

SCHEMBL9840764

CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
P2RY12 Q9H244 8/20 0.46
KMT2A Q03164 2/20 0.46
MC4R P32245 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL9840713 0.89 KMT2A (0.47) TGM2P2RY12KMT2AMC4RMAPK1
SCHEMBL9840695 0.86 BCHE (0.51) P2RY12KMT2AMAPK1
SCHEMBL14850779 0.84 KMT2A (0.48) TGM2KMT2AMC4RMAPK1POLB
SCHEMBL6982783 0.84 MAPK1 (0.61) KMT2AMC4RMAPK1POLBGFER
SCHEMBL9840610 0.82 TSHR (0.44) TGM2P2RY12KMT2A
SCHEMBL9483838 0.80 KMT2A (0.56) KMT2AMC4RMAPK1POLBGFER
SCHEMBL9483845 0.80 KMT2A (0.56) KMT2AMC4RMAPK1POLBGFER
SCHEMBL9840492 0.80 TSHR (0.42) TGM2P2RY12KMT2A
SCHEMBL4510471 0.80 MC4R (0.56) KMT2AMC4RMAPK1POLBGFER
SCHEMBL2585308 0.79 P2RY12 (0.50) P2RY12

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-4990614-A N-heterocyclic amides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-05 US disclosed
EP-0311517-A2 Amide compound having glutamate receptor inhibiting activity Takeda Chemical Industries, Ltd. (JP) 1989-04-12 EP disclosed