SCHEMBL7975558

SCHEMBL7975558

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.53

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 4/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.33
HDAC3 O15379 1/20 0.33
BRD4 O60885 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL7972260 0.95 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7954752 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7430655 0.92 MAP3K7 (0.34) AVPR2AVPR1AAVPR1BHDAC3BRD4
Hydrochloric Acid SCHEMBL7964462 0.92 MAP3K7 (0.34) AVPR2AVPR1AAVPR1BHDAC3BRD4
SCHEMBL7967134 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7964672 0.91 HDAC3 (0.35) AVPR2AVPR1AAVPR1BLMNAHDAC3
SCHEMBL7962166 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BLMNAHDAC3
Hydrochloric Acid SCHEMBL7970772 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7954419 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7972117 0.91 AVPR2 (0.34) AVPR2AVPR1AAVPR1BLMNAHDAC3

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