SCHEMBL7972260

SCHEMBL7972260

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CCN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.35
AVPR1A P37288 3/20 0.35
AVPR1B P47901 2/20 0.35
ALDH1A1 P00352 6/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.32
BRD4 O60885 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
SCHEMBL7975558 0.95 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7476174 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7961981 0.92 MAP3K7 (0.35) AVPR2AVPR1AAVPR1BABCB1ABCG2
Hydrochloric Acid SCHEMBL7962051 0.92 MAP3K7 (0.35) AVPR2AVPR1AAVPR1BABCB1ABCG2
SCHEMBL7967811 0.92 AVPR2 (0.34) AVPR2AVPR1AAVPR1BALDH1A1KMT2A
SCHEMBL7972295 0.91 AVPR2 (0.33) AVPR2AVPR1AAVPR1BABCB1ABCG2
Hydrochloric Acid SCHEMBL7968188 0.91 AVPR2 (0.33) AVPR2AVPR1AAVPR1BALDH1A1KMT2A
SCHEMBL7962048 0.91 AVPR2 (0.33) AVPR2AVPR1AAVPR1BABCB1ABCG2
SCHEMBL7569093 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BALDH1A1POLB
Hydrochloric Acid SCHEMBL7966255 0.91 AVPR2 (0.33) AVPR2AVPR1AAVPR1BABCB1ABCG2

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