SCHEMBL7019770

SCHEMBL7019770

COc1cc(C(=O)N2CCCCc3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(N(C)C)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
LMNA P02545 1/20 0.46
AVPR1A P37288 4/20 0.45
AVPR2 P30518 3/20 0.45
OXTR P30559 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AVPR1B P47901 1/20 0.44
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
Hydrochloric Acid SCHEMBL7024835 0.99 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020313 0.92 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7017970 0.91 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL7020143 0.91 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7019987 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL7020977 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020435 0.90 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7025794 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7015026 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7023728 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DLMNA

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