SCHEMBL7978293

SCHEMBL7978293

COCCNc1nc2c(NC(=O)c3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.34
AVPR1A P37288 3/20 0.34
AVPR1B P47901 2/20 0.34
PTGES O14684 2/20 0.34
DYRK1A Q13627 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
MAP3K7 O43318 3/20 0.33
LCK P06239 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL7963628 0.99 AVPR2 (0.34) AVPR2AVPR1AAVPR1BPTGESDYRK1A
SCHEMBL7965986 0.95 PTGES (0.34) AVPR2AVPR1AAVPR1BPTGESIRAK4
SCHEMBL7975620 0.95 AVPR2 (0.34) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7967145 0.95 PTGES (0.34) AVPR2AVPR1AAVPR1BPTGESIRAK4
SCHEMBL7975663 0.95 PTGES (0.36) AVPR2AVPR1AAVPR1BPTGESMAP3K7
Hydrochloric Acid SCHEMBL7953946 0.95 AVPR2 (0.34) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7967127 0.95 AVPR2 (0.34) AVPR2AVPR1AAVPR1BPTGESMAP3K7
Hydrochloric Acid SCHEMBL7978209 0.94 AVPR2 (0.33) AVPR2AVPR1AAVPR1BPTGESMAP3K7
SCHEMBL7480849 0.92 AVPR2 (0.35) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7485053 0.92 PTGES (0.33) PTGESDYRK1AMAP3K7LCK

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