SCHEMBL13914873

SCHEMBL13914873

Cc1cccc2[nH]c(C(=O)N[C@H]3C[C@H]4CC[C@@H](C3)N4C)nc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.53
▸ HTR3B O95264 2/20 0.53
▸ HTR3A P46098 2/20 0.53
▸ HTR3D Q70Z44 2/20 0.53
▸ HTR3C Q8WXA8 2/20 0.53
▸ PARP1 P09874 11/20 0.52
▸ HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL605537 1.00 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL602081 0.83 SMYD3 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL602018 0.78 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9876004 0.76 GSK3B (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13914877 0.75 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL601384 0.75 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL602548 0.74 HRH4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7427217 0.74 HRH4 (0.56) HRH4
SCHEMBL605257 0.71 MEN1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3369156 0.70 PARP1 (0.74) PARP1

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
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
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