Sugi Predict

Sugi Predict / Compounds / SCHEMBL10653567

SCHEMBL10653567

SCHEMBL10653567

c1ccc(CCCCONCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.53
▸ IDO1 P14902 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ MAOB P27338 1/20 0.44

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
SCHEMBL27315456 0.94 IDO1 (0.53) SIGMAR1IDO1BCHE
SCHEMBL336981 0.86 CA2 (0.47) SIGMAR1IDO1
SCHEMBL8369238 0.83 EPHX2 (0.50) SIGMAR1L3MBTL1MAOA
SCHEMBL22472264 0.83 EPHX2 (0.50) SIGMAR1L3MBTL1MAOA
SCHEMBL28504289 0.83 EPHX2 (0.50) SIGMAR1L3MBTL1MAOA
SCHEMBL14144825 0.81 HRAS (0.41) SIGMAR1IDO1MAOA
SCHEMBL14144826 0.81 DRD4 (0.42) IDO1MAOABCHE
SCHEMBL5501337 0.81 ALDH1A1 (0.47) SIGMAR1L3MBTL1
SCHEMBL27481442 0.80 SIGMAR1 (0.54) SIGMAR1L3MBTL1
SCHEMBL5532769 0.79 SIGMAR1 (0.53) SIGMAR1L3MBTL1

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
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 — — CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 — — EP disclosed