SCHEMBL18362307

SCHEMBL18362307

O=C(I)N1CCN(CCOCCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NSD2 O96028 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ ADRA1A P35348 2/20 0.39

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
SCHEMBL12976558 0.86 DRD3 (0.51) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL3553321 0.84 NAMPT (0.44) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL24521440 0.83 NAMPT (0.42) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL4905012 0.82 HTR1A (0.54) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL8966405 0.82 — —
SCHEMBL16507931 0.82 NAMPT (0.43) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL15435923 0.82 NAMPT (0.43) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL3431529 0.81 HTR1A (0.47) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL31305373 0.80 MEN1 (0.55) NAMPTHTR1ASMN1; SMN2NSD2PABPC1
SCHEMBL31305372 0.80 MEN1 (0.55) NAMPTHTR1ASMN1; SMN2NSD2PABPC1

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
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 — — EP disclosed
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