SCHEMBL13879233

SCHEMBL13879233

COBN[C@H](Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CHRM2 P08172 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ FPR1 P21462 1/20 0.35
▸ C5AR1 P21730 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GLP1R P43220 1/20 0.35
▸ CX3CR1 P49238 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ ADGRF1 Q5T601 1/20 0.35
▸ GPR65 Q8IYL9 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL14542190 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10OPRK1GAAKMT2A
SCHEMBL14542192 0.79 GAA (0.48) ALDH1A1HSD17B10GAAKMT2ACACNA1B
SCHEMBL14542443 0.78 ACE (0.48) KMT2ACACNA1B
SCHEMBL13879329 0.76 DPP4 (0.40) ALDH1A1GAAKMT2A
SCHEMBL3936988 0.76 LMNA (0.54) ALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL14031838 0.73 ALDH1A1 (0.39) ALDH1A1GAAKMT2AATMSMN1; SMN2
SCHEMBL27559390 0.73 SLC7A5 (0.50) ALDH1A1HSD17B10CHRM2KMT2ASMN1; SMN2
SCHEMBL5151943 0.71 ACE (0.54) ALDH1A1HSD17B10KMT2ACACNA1BATM
SCHEMBL3936484 0.71 ACE (0.54) ALDH1A1HSD17B10KMT2ACACNA1BATM
SCHEMBL3936455 0.71 ACE (0.54) ALDH1A1HSD17B10KMT2ACACNA1BATM

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-1945621-B1 PROCESS TO PREPARE AMINO ACID DERIVATIVES REDDY S LAB EU LTD DR (GB) 2009-04-15 — — EP disclosed
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