SCHEMBL7015148

SCHEMBL7015148

O/N=C1/CCCc2ccncc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SIGMAR1 Q99720 1/20 0.47
ROCK2 O75116 2/20 0.40
GRK2 P25098 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.39
BRAF P15056 3/20 0.38
MAPK3 P27361 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP19A1 P11511 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7015150 1.00 HPGD (0.53) HPGDL3MBTL1SIGMAR1ROCK2GRK2
SCHEMBL18795055 0.89 BRAF (0.46) HPGDL3MBTL1SIGMAR1BRAFMAPK3
SCHEMBL18816496 0.89 BRAF (0.46) HPGDL3MBTL1SIGMAR1BRAFMAPK3
SCHEMBL12797254 0.87 HPGD (0.44) HPGDL3MBTL1SIGMAR1ROCK2GRK2
SCHEMBL2687562 0.86 HPGD (0.53) HPGDL3MBTL1SIGMAR1ROCK2GRK2
SCHEMBL2687559 0.86 HPGD (0.53) HPGDL3MBTL1SIGMAR1ROCK2GRK2
SCHEMBL2885100 0.86 HPGD (0.53) HPGDL3MBTL1SIGMAR1ROCK2GRK2
SCHEMBL395524 0.73 L3MBTL1 (0.92) HPGDL3MBTL1LMNAHSD17B10
SCHEMBL1204352 0.73 L3MBTL1 (0.92) HPGDL3MBTL1LMNAHSD17B10
SCHEMBL30043171 0.73 L3MBTL1 (0.92) HPGDL3MBTL1LMNAHSD17B10

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-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed