Sugi Predict

Sugi Predict / Compounds / SCHEMBL9735198

SCHEMBL9735198

SCHEMBL9735198

COc1ccc(/C=C/C(=O)N2CCN(C(=O)C3CCC(=O)N3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 14/20 0.58
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ MAPT P10636 1/20 0.51

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
SCHEMBL9735192 1.00 GPR183 (0.58) GPR183NPC1RAB9AALDH1A1GAA
SCHEMBL9735480 0.88 MAPT (0.59) GPR183NPC1RAB9AALDH1A1GAA
SCHEMBL9735488 0.88 MAPT (0.59) GPR183NPC1RAB9AALDH1A1GAA
SCHEMBL9735594 0.85 MEN1 (0.57) GPR183NPC1RAB9AGAASMN1; SMN2
SCHEMBL9735590 0.85 MEN1 (0.57) GPR183NPC1RAB9AGAASMN1; SMN2
SCHEMBL9734991 0.81 HPGD (0.55) GPR183ALDH1A1GAASMN1; SMN2
SCHEMBL9734450 0.81 NAMPT (0.58) ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL9736216 0.80 SMN1; SMN2 (0.64) GPR183RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL9735099 0.78 POLB (0.53) ALDH1A1GAASMN1; SMN2
SCHEMBL8149879 0.76 NPC1 (0.74) GPR183NPC1RAB9AALDH1A1GAA

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 — — US disclosed