SCHEMBL7017304

SCHEMBL7017304

CN1CCCNc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL12405333 0.89 MEN1 (0.38) MEN1RAB9AGFERKMT2AEPHX2
SCHEMBL26547290 0.79 EPHX2 (0.37) MEN1RAB9AGFERKMT2AEPHX2
SCHEMBL19526135 0.78 LMNA (0.36) EPHX2HRH3
SCHEMBL2631721 0.73 MEN1 (0.46) MEN1RAB9AGFERKMT2A
SCHEMBL7711222 0.71 MTNR1A (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL20571416 0.71 JAK2 (0.40) EPHX2HTR2AHTR2CHTR2B
SCHEMBL26547297 0.71 EPHX2 (0.39) EPHX2HTR2AHTR2CHTR2B
SCHEMBL15857872 0.70 MTNR1A (0.43) MEN1RAB9AGFERKMT2AHTR2A
SCHEMBL24342186 0.70 GAA (0.47) EPHX2
SCHEMBL7014995 0.69 MEN1 (0.36) MEN1RAB9AGFERKMT2AHTR2A

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