SCHEMBL8530491

SCHEMBL8530491

CC(C)(C)OC(=O)NCC1CN(c2ccc(-c3cccnc3)cn2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ CETP P11597 7/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ GRM5 P41594 3/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ GPR119 Q8TDV5 1/20 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
SCHEMBL7805143 1.00 CKS1B (0.43) CKS1BSKP1SKP2CETPKCNH2
SCHEMBL7811071 0.83 CPB2 (0.42) CKS1BSKP1SKP2CETPGRM5
SCHEMBL8339618 0.82 CYP3A4 (0.45) —
SCHEMBL5707298 0.77 ABCB11 (0.45) CETPKCNH2GRM5
SCHEMBL5707296 0.77 ABCB11 (0.45) CETPKCNH2GRM5
Hydrochloric Acid SCHEMBL8513744 0.77 GRM2 (0.44) GRM5GRM2
Hydrochloric Acid SCHEMBL7811303 0.77 GRM2 (0.44) GRM5GRM2
Hydrochloric Acid SCHEMBL1176889 0.76 ABCB11 (0.45) CETPKCNH2
Hydrochloric Acid SCHEMBL1176888 0.76 ABCB11 (0.45) CETPKCNH2
SCHEMBL7812158 0.76 GRM2 (0.38) CETPKCNH2GRM5GRM2

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
US-5922708-A ANTIBACTERIAL DRUGS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-13 — — US disclosed
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