SCHEMBL6970401

SCHEMBL6970401

O=C1c2ccccc2C(=O)N1CCCN1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.64
MAOB P27338 4/20 0.62
KDM1A O60341 1/20 0.56

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
SCHEMBL6964152 1.00 HTR1A (0.64) HTR1AMAOBKDM1A
SCHEMBL829254 0.97 HTR1A (0.64) HTR1AMAOB
Hydrochloric Acid SCHEMBL2558698 0.95 HTR1A (0.62) HTR1AMAOB
Hydrochloric Acid SCHEMBL829918 0.95 HTR1A (0.62) HTR1AMAOB
SCHEMBL7083797 0.95 HTR1A (0.65) HTR1AMAOB
Hydrochloric Acid SCHEMBL2557258 0.94 HTR1A (0.63) HTR1AMAOB
SCHEMBL29564155 0.90 HTR1A (0.55) HTR1AMAOBKDM1A
SCHEMBL20404 0.90 HTR1A (0.55) HTR1AMAOBKDM1A
SCHEMBL13469510 0.88 HTR1A (0.79) HTR1AMAOB
SCHEMBL26634553 0.88 HTR1A (0.62) HTR1AMAOB

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
WO-1996033723-A2 USE OF BENZAMIDE DERIVATIVES FOR TREATING AND/OR PREVENTING MENIERE'S SYNDROME AND MOTION SICKNESS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-31 WO disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed