SCHEMBL22788750

SCHEMBL22788750

O=C(OCc1ccccc1)N1CCN(CCCCO)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ TNKS O95271 1/20 0.53
▸ PARP1 P09874 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ TEAD3 Q99594 1/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ HRH1 P35367 2/20 0.52
▸ HTR1A P08908 1/20 0.52

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
SCHEMBL5154279 0.96 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL92564 0.90 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29132227 0.90 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27629467 0.88 SIGMAR1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29234163 0.88 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5542172 0.88 NPSR1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16010716 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20305738 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27610472 0.87 NPSR1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL29170427 0.87 SIGMAR1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 — — WO disclosed
WO-2020252396-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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