SCHEMBL7345296

SCHEMBL7345296

CN1CCN(C(=O)CCCCCOc2ccccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3CCCCO)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.39
AVPR1A P37288 3/20 0.39
NAMPT P43490 4/20 0.39
AVPR1B P47901 2/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7336281 0.93 AVPR2 (0.39) AVPR2AVPR1ANAMPTAVPR1BPOLB
Hydrochloric Acid SCHEMBL7342153 0.93 AVPR2 (0.38) AVPR2AVPR1ANAMPTAVPR1BPOLB
SCHEMBL7341462 0.92 POLB (0.43) AVPR2AVPR1ANAMPTAVPR1BPOLB
SCHEMBL7340626 0.91 POLB (0.39) AVPR2AVPR1ANAMPTAVPR1BPOLB
Hydrochloric Acid SCHEMBL7337084 0.91 POLB (0.43) AVPR2AVPR1ANAMPTAVPR1BPOLB
SCHEMBL7344522 0.90 KMT2A (0.41) AVPR2AVPR1AAVPR1BSMN1; SMN2KMT2A
SCHEMBL7338749 0.88 POLB (0.43) AVPR2AVPR1AAVPR1BPOLBRAB9A
Hydrochloric Acid SCHEMBL7773831 0.88 POLB (0.43) AVPR2AVPR1AAVPR1BPOLBRAB9A
SCHEMBL7337768 0.88 AVPR2 (0.42) AVPR2AVPR1ANAMPTAVPR1BPOLB
SCHEMBL7376322 0.87 AVPR2 (0.51) AVPR2AVPR1AAVPR1BPOLBALDH1A1

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