SCHEMBL27778261

SCHEMBL27778261

O=C(CCc1cccs1)NC1CCCCC1CN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL14368758 1.00 HPGD (0.43) HPGDMEN1KMT2AMAPTPKM
SCHEMBL14368748 0.78 TP53 (0.48) HPGDKMT2ASIGMAR1NPC1RAB9A
SCHEMBL27778439 0.78 TP53 (0.48) HPGDKMT2ASIGMAR1NPC1RAB9A
SCHEMBL14368694 0.78 MCHR1 (0.52) HPGDMAPTSIGMAR1TP53
SCHEMBL28783269 0.78 MCHR1 (0.52) HPGDMAPTSIGMAR1TP53
SCHEMBL14368761 0.77 C3AR1 (0.50) MAPTSIGMAR1ALDH1A1
SCHEMBL27757311 0.77 C3AR1 (0.50) MAPTSIGMAR1ALDH1A1
SCHEMBL14368751 0.77 NPC1 (0.52) HPGDSIGMAR1NPC1RAB9AALDH1A1
SCHEMBL27757307 0.77 NPC1 (0.52) HPGDSIGMAR1NPC1RAB9AALDH1A1
SCHEMBL14368701 0.76 POLB (0.53) MEN1KMT2ASIGMAR1SMN1; SMN2KDM4E

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-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN claimed
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN disclosed
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