SCHEMBL28249935

SCHEMBL28249935

NC(=O)C1CN(Cc2ccccc2)CC1CO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.58
▸ S1PR5 Q9H228 3/20 0.49
▸ S1PR1 P21453 1/20 0.49
▸ FUCA1 P04066 2/20 0.47
▸ RORC P51449 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL3272975 0.88 S1PR5 (0.49) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL19532468 0.87 S1PR5 (0.48) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL3273128 0.83 S1PR5 (0.45) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL14759416 0.82 GBA1 (0.75) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL14759418 0.82 GBA1 (0.75) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL1190716 0.82 GBA1 (0.75) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL742926 0.82 GBA1 (0.75) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL9685026 0.82 FUCA1 (0.63) GBA1S1PR5S1PR1FUCA1RORC
SCHEMBL3369886 0.79 GBA1 (0.51) GBA1S1PR5S1PR1TSHR
SCHEMBL13105233 0.79 GBA1 (0.51) GBA1S1PR5S1PR1TSHR

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
CN-108779123-A Fused tetracyclic compound, its composition and purposes 泰博生物科技有限公司 2018-11-09 — — CN disclosed
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