SCHEMBL8718478

SCHEMBL8718478

CC(C)n1nc(C(=O)N[C@H]2C[C@H]3COC[C@@H](C2)N3C)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 12/20 0.71
▸ HTR3A P46098 6/20 0.68
▸ ALDH1A1 P00352 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ HTR3E A5X5Y0 1/20 0.62
▸ SLC22A2 O15244 1/20 0.62
▸ HTR3B O95264 1/20 0.62
▸ CHRNB2 P17787 1/20 0.62
▸ CHRNA3 P32297 1/20 0.62
▸ CHRNA4 P43681 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ HTR3D Q70Z44 1/20 0.62
▸ HTR3C Q8WXA8 1/20 0.62
▸ SLC47A1 Q96FL8 1/20 0.62

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
SCHEMBL8718481 1.00 HTR4 (0.71) HTR4HTR3AALDH1A1CYP3A4TSHR
SCHEMBL16504004 0.91 HTR4 (0.81) HTR4HTR3AALDH1A1CYP3A4TSHR
SCHEMBL8713848 0.91 HTR4 (0.74) HTR4HTR3ACYP3A4
SCHEMBL8713846 0.91 HTR4 (0.74) HTR4HTR3ACYP3A4
SCHEMBL7429586 0.89 HTR4 (0.71) HTR4HTR3AALDH1A1CYP3A4TSHR
SCHEMBL8715201 0.88 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL8714157 0.88 HTR4 (0.71) HTR4HTR3ACYP3A4
SCHEMBL7300091 0.88 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8714556 0.88 ALDH1A1 (0.83) HTR3AALDH1A1CYP3A4TSHRMAPK1
SCHEMBL8713446 0.88 HTR4 (0.73) 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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