SCHEMBL7749486

SCHEMBL7749486

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(C)cc3OCCCCCC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.46
AVPR1A P37288 7/20 0.46
AVPR1B P47901 6/20 0.46
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7371623 0.94 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMEN1ALDH1A1
SCHEMBL7371692 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMEN1ALDH1A1
SCHEMBL7372942 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7751053 0.94 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7372097 0.93 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7369192 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1B
SCHEMBL7377335 0.92 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMEN1ALDH1A1
SCHEMBL7373648 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1B
SCHEMBL7370995 0.91 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7371914 0.91 POLB (0.45) AVPR2AVPR1AAVPR1BMEN1KMT2A

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed