SCHEMBL23888261

SCHEMBL23888261

CN1CCN(CC(=O)N(c2ccc(OCc3cccc(Cl)c3)cc2)C2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.51
▸ S1PR5 Q9H228 1/20 0.51
▸ MAOB P27338 5/20 0.50
▸ MAOA P21397 4/20 0.50
▸ KDM1A O60341 1/20 0.50
▸ ALOX5 P09917 1/20 0.49
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MMP1 P03956 3/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HTR6 P50406 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
SCHEMBL28070041 0.76 MAOB (0.47) S1PR1S1PR5MAOBMAOAKDM1A
SCHEMBL31703542 0.75 S1PR1 (0.51) S1PR1S1PR5MAOBMAOAKDM1A
SCHEMBL20420608 0.75 KDM1A (0.47) MAOBMAOAKDM1AOPRM1
SCHEMBL27959324 0.73 LMNA (0.43) MAOBMAOAOPRM1
SCHEMBL27959322 0.70 CHRM2 (0.47) ALDH1A1
SCHEMBL31703574 0.69 ALOX5 (0.66) MAOBMAOAALOX5RXRARXRB
SCHEMBL31703556 0.69 S1PR1 (0.50) S1PR1S1PR5MAOBMAOAALOX5
SCHEMBL3109359 0.69 OPRM1 (0.51) MAOBMAOAOPRM1
SCHEMBL3042052 0.68 S1PR5 (1.00) S1PR1S1PR5MAOBRXRARXRB
SCHEMBL28018068 0.68 FFAR1 (0.56) MAOBMAOAADAM17FFAR1

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
WO-2021195723-A1 \"METHODS FOR TREATMENT OF CORONAVIRUS INFECTIONS\ THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2021-10-07 — — WO disclosed
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