SCHEMBL7447359

SCHEMBL7447359

O=C(O)N1CCN(C(=O)c2cccc(Cc3ncc[nH]3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HTR2B P41595 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A7 Q99884 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9853966 0.81 TAAR1 (0.61) TAAR1SMN1; SMN2KDM4E
SCHEMBL22360002 0.73 CYP4F2 (0.53) TAAR1SMN1; SMN2
SCHEMBL31414967 0.73 TAAR1 (0.75) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL10997900 0.70 TAAR1 (0.64) TAAR1LMNATSHRMAPK1SMN1; SMN2
SCHEMBL3749613 0.70 TAAR1 (0.64) TAAR1MEN1LMNATSHRKMT2A
SCHEMBL11474531 0.69 TBXAS1 (0.56) TAAR1MAPK1SMN1; SMN2
SCHEMBL7417625 0.69 TAAR1 (0.55) TAAR1LMNAMAPK1
SCHEMBL9243 0.69 TAAR1 (1.00) TAAR1MEN1LMNATSHRKMT2A
Hydrochloric Acid SCHEMBL10944343 0.68 TAAR1 (0.54) TAAR1LMNAMAPK1
SCHEMBL10719843 0.68 TAAR1 (0.66) TAAR1HTR2BLMNATSHRSMN1; SMN2

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-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed