SCHEMBL7028987

SCHEMBL7028987

O=S(=O)(Nc1ccc(C2CCC3CCCCN32)cc1)[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
APLNR P35414 2/20 0.33
BRD4 O60885 3/20 0.33
SGK1 O00141 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32
BRPF1 P55201 1/20 0.32
MAP2K4 P45985 1/20 0.32
CXCR2 P25025 1/20 0.32
HTR6 P50406 1/20 0.31

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
SCHEMBL4290113 1.00 HRH3 (0.46) HRH3APLNRBRD4SGK1SMYD3
SCHEMBL4290109 1.00 HRH3 (0.46) HRH3APLNRBRD4SGK1SMYD3
SCHEMBL4290100 1.00 HRH3 (0.46) HRH3APLNRBRD4SGK1SMYD3
SCHEMBL7107835 0.80 HRH3 (0.48) HRH3BRD4SGK1SMYD3BRPF1
SCHEMBL7107837 0.80 HRH3 (0.48) HRH3BRD4SGK1SMYD3BRPF1
SCHEMBL4288153 0.79 HRH3 (0.40) HRH3APLNRHTR6
SCHEMBL4288161 0.79 HRH3 (0.40) HRH3APLNRHTR6
SCHEMBL7024371 0.79 HRH3 (0.40) HRH3APLNRHTR6
SCHEMBL4288155 0.79 HRH3 (0.40) HRH3APLNRHTR6
SCHEMBL4291020 0.78 HRH3 (0.52) HRH3

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
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed