SCHEMBL23093697

SCHEMBL23093697

CC(=O)N1CCN(CCN2[C@@H]3CC[C@H]2CC(NC(=O)c2nn(C(F)F)c4ccccc24)C3)CC1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.86
HTR3A P46098 3/20 0.58
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL23093695 1.00 HTR4 (0.86) HTR4HTR3AALDH1A1CYP3A4TSHR
SCHEMBL23093696 1.00 HTR4 (0.86) HTR4HTR3AALDH1A1CYP3A4TSHR
SCHEMBL2542097 0.92 HTR4 (1.00) HTR4
SCHEMBL30404126 0.92 HTR4 (1.00) HTR4
SCHEMBL2542098 0.92 HTR4 (1.00) HTR4
SCHEMBL29941552 0.92 HTR4 (1.00) HTR4
SCHEMBL393401 0.92 HTR4 (1.00) HTR4
Hydrochloric Acid SCHEMBL2541046 0.92 HTR4 (0.98) HTR4
Bromide SCHEMBL2538713 0.92 HTR4 (0.98) HTR4
SCHEMBL23111159 0.89 HTR4 (0.69) HTR4HTR3A

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
WO-2021046789-A1 INDAZOLE-CARBOXAMIDE DERIVATIVE AND USE THEREOF 广东东阳光药业有限公司 2021-03-18 WO disclosed