SCHEMBL7480306

SCHEMBL7480306

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(NC#N)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.33
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
AVPR1B P47901 1/20 0.31
HCN1 O60741 1/20 0.30
HCN4 Q9Y3Q4 1/20 0.30
CYP3A4 P08684 1/20 0.30
LPAR1 Q92633 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL7964805 0.93 MAP3K7 (0.33) MAP3K7ADRA1DADRA1AADRA1BIRAK4
Hydrochloric Acid SCHEMBL7965773 0.93 MAP3K7 (0.33) MAP3K7ADRA1DADRA1AADRA1BIRAK4
SCHEMBL7975460 0.92 MAP3K7 (0.34) MAP3K7ADRA1DADRA1AADRA1BIRAK4
Hydrochloric Acid SCHEMBL7954938 0.92 MAP3K7 (0.33) MAP3K7ADRA1DADRA1AADRA1BIRAK4
Hydrochloric Acid SCHEMBL7469087 0.91 MAP3K7 (0.34) MAP3K7ADRA1DADRA1AADRA1BIRAK4
SCHEMBL7954150 0.91 MAP3K7 (0.35) MAP3K7ADRA1DADRA1AADRA1BIRAK4
Hydrochloric Acid SCHEMBL7966667 0.90 MAP3K7 (0.34) MAP3K7ADRA1DADRA1AADRA1BIRAK4
SCHEMBL7978134 0.90 MAP3K7 (0.33) MAP3K7ADRA1DADRA1AADRA1BIRAK4
SCHEMBL7480304 0.88 AVPR2 (0.38) MAP3K7IRAK4AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7971987 0.88 MAP3K7 (0.39) MAP3K7PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed