SCHEMBL7346069

SCHEMBL7346069

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3O)c(C)c2)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 4/20 0.42
▸ AVPR1A P37288 4/20 0.42
▸ AVPR1B P47901 3/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KLK1 P06870 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 2/20 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
SCHEMBL7336832 0.95 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7339127 0.93 AVPR2 (0.44) AVPR2AVPR1AAVPR1BRAB9AMEN1
SCHEMBL7346910 0.92 AVPR2 (0.45) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7342655 0.92 AVPR2 (0.43) AVPR2AVPR1AAVPR1BRAB9AMEN1
SCHEMBL7339590 0.91 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8011104 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7343098 0.88 AVPR2 (0.41) AVPR2AVPR1AAVPR1BLMNATSHR
SCHEMBL7345034 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7336823 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7338979 0.87 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4

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 4 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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 — — EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 — — WO disclosed
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