SCHEMBL7961822

SCHEMBL7961822

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.35
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
AVPR1B P47901 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
DHODH Q02127 1/20 0.31
ADRA1D P25100 4/20 0.31
ADRA1A P35348 4/20 0.31
ADRA1B P35368 4/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL7964812 0.94 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7965778 0.93 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7480304 0.93 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7975461 0.93 MAP3K7 (0.37) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7473083 0.92 MAP3K7 (0.37) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7474290 0.92 MAP3K7 (0.37) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7482515 0.92 MAP3K7 (0.34) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7597522 0.91 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7480369 0.91 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7965629 0.91 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4

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 1 patent. 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