SCHEMBL7415153

SCHEMBL7415153

CCN(CC)c1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
RAB9A P51151 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL7964564 0.90 USP2 (0.51) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7959855 0.87 LMNA (0.44) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7418952 0.86 RAB9A (0.44) RAB9ALMNANPC1SMN1; SMN2GLA
SCHEMBL7961855 0.85 SMN1; SMN2 (0.55) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7411535 0.85 SMN1; SMN2 (0.55) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7416321 0.85 MAPT (0.47) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7960446 0.84 RAB9A (0.57) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7964551 0.84 HRH3 (0.42) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7958240 0.83 IKBKE (0.41) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL7359145 0.83 METTL3 (0.42) MAPTRAB9ALMNANPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed
EP-0656002-A1 3-OXO-PYRIDO(1,2-A -)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A -)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1995-06-07 EP disclosed
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed