SCHEMBL11466286

SCHEMBL11466286

CN1CCSC1=NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 8/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL24795887 0.68 DRD2 (0.47) SIGMAR1ALDH1A1MEN1KMT2ADRD2
SCHEMBL19418157 0.67 TDP1 (0.46) ALDH1A1MEN1TSHRKMT2AKDM4E
SCHEMBL15061509 0.66 TDP1 (0.44) ALDH1A1MEN1TSHRKMT2AKDM4E
SCHEMBL11466284 0.66 MAOA (0.34) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6604174 0.65 TDP1 (0.41) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL318106 0.65 MEN1 (0.58) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL26228226 0.64 TDP1 (0.40) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL26259998 0.64 TDP1 (0.42) ALDH1A1MEN1TSHRKMT2ATDP1
SCHEMBL30118783 0.63 TDP1 (0.39) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL17717584 0.63 TDP1 (0.39) SIGMAR1ALDH1A1MEN1TSHRKMT2A

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-4181661-A SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS MERCK & CO., INC. (US) 1980-01-01 — — US disclosed
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