SCHEMBL7336809

SCHEMBL7336809

COc1c(C(=O)c2ccccc2OCC(=O)N2CCN(C)CC2)ccc(C(=O)Nc2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 3/20 0.43
▸ AVPR1A P37288 3/20 0.43
▸ AVPR1B P47901 2/20 0.43
▸ CBX7 O95931 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL7336797 0.85 AVPR2 (0.50) AVPR2AVPR1AAVPR1BPOLBKMT2A
SCHEMBL7475780 0.81 AVPR2 (0.49) AVPR2AVPR1AAVPR1BPOLBKMT2A
SCHEMBL7340721 0.80 AVPR2 (0.39) AVPR2AVPR1ACBX7POLBKMT2A
SCHEMBL7962062 0.77 AVPR2 (0.39) AVPR2AVPR1AAVPR1BCBX7KMT2A
SCHEMBL7478475 0.75 CBX7 (0.38) AVPR2AVPR1ACBX7POLBKMT2A
SCHEMBL7343561 0.75 AVPR2 (0.43) AVPR2AVPR1AAVPR1B
SCHEMBL7999247 0.75 AVPR2 (0.40) AVPR2AVPR1AAVPR1BKMT2AMEN1
Hydrochloric Acid SCHEMBL7778565 0.74 AVPR2 (0.42) AVPR2AVPR1AAVPR1BPOLBSMN1; SMN2
SCHEMBL7778599 0.74 SIGMAR1 (0.37) AVPR2AVPR1APOLBKMT2AMEN1
SCHEMBL7336166 0.74 AVPR2 (0.42) AVPR2AVPR1AAVPR1BSMN1; SMN2LMNA

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 — — EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 — — WO disclosed
Send feedback