SCHEMBL7345660

SCHEMBL7345660

COc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCCCCCC(=O)N3CCN(C)CC3)cc2OC)c(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
AVPR1B P47901 2/20 0.40
NAMPT P43490 1/20 0.40
EGFR P00533 2/20 0.39

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
SCHEMBL7338105 0.97 AVPR2 (0.42) METLMNAMAPTHTTSMN1; SMN2
SCHEMBL7342173 0.94 AVPR2 (0.43) AVPR2AVPR1AAVPR1B
SCHEMBL7345955 0.94 MEN1 (0.40) METMAPTSMN1; SMN2AVPR2AVPR1A
SCHEMBL7336940 0.94 LMNA (0.41) LMNAMAPTHTTSMN1; SMN2AVPR2
SCHEMBL7342320 0.93 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7346689 0.93 LMNA (0.41) LMNAMAPTHTTSMN1; SMN2AVPR2
SCHEMBL7370102 0.92 MEN1 (0.45) MAPTSMN1; SMN2NAMPT
SCHEMBL7342022 0.91 LMNA (0.39) LMNAMAPTHTTSMN1; SMN2AVPR2
SCHEMBL7336282 0.91 AVPR2 (0.39) LMNAMAPTHTTSMN1; SMN2AVPR2
Hydrochloric Acid SCHEMBL7778650 0.91 LMNA (0.39) LMNAMAPTHTTSMN1; SMN2AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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