SCHEMBL7978093

SCHEMBL7978093

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(CN)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

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
JAK2 O60674 1/20 0.32
POLB P06746 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL7966611 0.92 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BJAK2
SCHEMBL7975515 0.92 HRH4 (0.35) MAP3K7AVPR2AVPR1AAVPR1BJAK2
Hydrochloric Acid SCHEMBL7973538 0.92 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BJAK2
Hydrochloric Acid SCHEMBL7968777 0.91 HRH4 (0.35) MAP3K7AVPR2AVPR1AAVPR1BJAK2
SCHEMBL7975530 0.91 HRH4 (0.36) MAP3K7AVPR2AVPR1AAVPR1BHRH4
Hydrochloric Acid SCHEMBL7962164 0.91 HRH4 (0.35) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7970296 0.89 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7597522 0.87 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BPOLB
SCHEMBL7975461 0.87 MAP3K7 (0.37) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7968372 0.87 AVPR2 (0.40) 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