SCHEMBL27610472

SCHEMBL27610472

[CH2]CCCCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ TEAD3 Q99594 1/20 0.53
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ HTR2A P28223 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ HRH1 P35367 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ TNKS O95271 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49

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
SCHEMBL5542172 0.99 NPSR1 (0.56) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5536999 0.95 MEN1 (0.57) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5151317 0.89 MEN1 (0.59) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5545410 0.88 HRH1 (0.54) NPSR1MEN1KMT2ACA1CA2
SCHEMBL16010716 0.87 MEN1 (0.54) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL22788750 0.87 MEN1 (0.57) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5541594 0.86 HRH1 (0.55) NPSR1MEN1KMT2ACA1CA2
SCHEMBL5540188 0.86 HRH2 (0.52) KMT2ACA1CA2CA7CYP2C19
SCHEMBL27629467 0.86 SIGMAR1 (0.56) NPSR1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29234163 0.86 MEN1 (0.56) NPSR1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
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