SCHEMBL10264652

SCHEMBL10264652

O=C(c1cc2c([nH]1)CCOC2)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.49
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.39
UGCG Q16739 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RHEB Q15382 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL13562318 0.86 HRH4 (0.67) HRH4HRH3
SCHEMBL10263385 0.80 HRH4 (0.74) HRH4HRH3SIGMAR1F10HSP90AA1
SCHEMBL10263701 0.80 HRH4 (0.69) HRH4HRH3SIGMAR1F10HSP90AA1
SCHEMBL13562317 0.78 ALOX15 (0.39) HRH4SMN1; SMN2
SCHEMBL10263610 0.76 HRH4 (0.49) HRH4HRH3SIGMAR1F10HSP90AA1
SCHEMBL24159176 0.75 MAP2K1 (0.37) HRH4
SCHEMBL13562353 0.74 HRH4 (0.47) HRH4HRH3SIGMAR1F10HSP90AA1
SCHEMBL13562341 0.74 HRH4 (0.47) HRH4HRH3SIGMAR1F10HSP90AA1
SCHEMBL10263827 0.71 HRH4 (0.47) HRH4HRH3SIGMAR1
SCHEMBL10264407 0.70 HRH4 (0.49) HRH4HRH3SIGMAR1HSP90AA1RHEB

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-2460794-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE Shionogi & Co., Ltd. (JP) 2012-06-06 EP disclosed