SCHEMBL8713461

SCHEMBL8713461

CC(C)n1nc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 18/20 0.66
▸ HTR3A P46098 1/20 0.64
▸ CYP3A4 P08684 1/20 0.60

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
SCHEMBL8713462 1.00 HTR4 (0.66) HTR4HTR3ACYP3A4
SCHEMBL9412881 0.93 HTR4 (0.65) HTR4HTR3ACYP3A4
SCHEMBL9412883 0.93 HTR4 (0.65) HTR4HTR3ACYP3A4
SCHEMBL9413113 0.91 HTR4 (0.61) HTR4HTR3ACYP3A4
SCHEMBL9413120 0.91 HTR4 (0.61) HTR4HTR3ACYP3A4
SCHEMBL8713848 0.89 HTR4 (0.74) HTR4HTR3ACYP3A4
SCHEMBL8713846 0.89 HTR4 (0.74) HTR4HTR3ACYP3A4
SCHEMBL8718478 0.87 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL8718481 0.87 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL8714157 0.86 HTR4 (0.71) HTR4HTR3ACYP3A4

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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 — — EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 — — EP disclosed
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