SCHEMBL6955823

SCHEMBL6955823

CC(NC1CCC(=O)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 2/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.40
CA1 P00915 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A3 Q01959 1/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL6953679 1.00 GAA (0.44) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL16968736 0.85 GAA (0.57) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL6962537 0.84 GAA (0.43) GAAL3MBTL1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL6957801 0.83 GAA (0.43) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL9359482 0.80 MTNR1A (0.44) GAAL3MBTL1KMT2AMEN1CA1
SCHEMBL6949659 0.80 POLB (0.54) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL31455053 0.78 MAPT (0.55) GAAKMT2AMAPTALDH1A1MEN1
SCHEMBL6959447 0.76 MAOB (0.39) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL6959454 0.76 MAOB (0.39) GAAL3MBTL1KMT2AMAPTLMNA
SCHEMBL8110023 0.73 GABRP (0.35) GAAL3MBTL1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed
WO-1998055115-A1 CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-12-10 WO disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed