SCHEMBL9376897

SCHEMBL9376897

CN1CCN(c2ncccc2C(=O)NCCO)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 1/20 0.77
▸ TSHR P16473 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MTNR1A P48039 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9377113 0.82 CHIA (0.65) CHIATSHRHSD17B10MAPTKMT2A
Hydrochloric Acid SCHEMBL9377949 0.81 CHIA (0.64) CHIATSHRHSD17B10MAPTKMT2A
SCHEMBL9182798 0.79 CHIA (0.58) CHIATSHRHSD17B10MAPTKMT2A
SCHEMBL593819 0.78 KMT2A (0.69) CHIATSHRMAPTKMT2AMEN1
SCHEMBL13089715 0.78 CHIA (0.67) CHIAMAPTKMT2AMEN1CYP1A2
SCHEMBL7238484 0.78 CHIA (0.66) CHIAMAPTKMT2AL3MBTL1
SCHEMBL28275410 0.77 CHIA (0.65) CHIAMAPTKMT2AMEN1CYP1A2
SCHEMBL10107612 0.76 KMT2A (0.64) CHIATSHRHSD17B10KMT2AMEN1
SCHEMBL7241202 0.75 CHIA (0.59) CHIATSHRHSD17B10CYP3A4
SCHEMBL15708807 0.75 TSHR (0.53) CHIATSHRHSD17B10MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385350-B1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 — — EP disclosed
US-4994456-A Hypotensive agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-02-19 — — US disclosed
EP-0385350-A1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 — — EP disclosed
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