SCHEMBL8713379

SCHEMBL8713379

CCC(C)n1nc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 9/20 0.67
▸ HTR3A P46098 8/20 0.66
▸ CYP3A4 P08684 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8713385 1.00 HTR4 (0.67) HTR4HTR3ACYP3A4ALDH1A1TSHR
SCHEMBL8714407 1.00 HTR4 (0.67) HTR4HTR3ACYP3A4ALDH1A1TSHR
SCHEMBL8714409 1.00 HTR4 (0.67) HTR4HTR3ACYP3A4ALDH1A1TSHR
SCHEMBL8714841 0.90 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8714839 0.90 HTR4 (0.82) HTR4HTR3ACYP3A4
SCHEMBL8719023 0.88 HTR3A (0.54) HTR4HTR3A
SCHEMBL8717114 0.88 HTR3A (0.54) HTR4HTR3A
SCHEMBL8717118 0.88 HTR3A (0.54) HTR4HTR3A
SCHEMBL8719019 0.88 HTR3A (0.54) HTR4HTR3A
SCHEMBL8714353 0.88 HTR4 (0.52) 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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