SCHEMBL7340679

SCHEMBL7340679

COc1cc(C(=O)N(C)c2ccccc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.49
AVPR1A P37288 7/20 0.49
AVPR1B P47901 7/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNMA1 Q12791 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7778279 0.93 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7344704 0.91 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7336278 0.90 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7780700 0.88 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7343158 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMAPTSMN1; SMN2
SCHEMBL7338630 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMAPTSMN1; SMN2
SCHEMBL7345237 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1BKMT2AMAPT
Hydrochloric Acid SCHEMBL7780759 0.86 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMAPTSMN1; SMN2
SCHEMBL7335858 0.86 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7780840 0.85 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed