SCHEMBL7389932

SCHEMBL7389932

COc1cc(N)c(Cl)cc1C(=O)CCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.73
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
ACHE P22303 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL7390274 0.93 HTR4 (0.68) HTR4
SCHEMBL7391686 0.93 HTR4 (0.68) HTR4
SCHEMBL7390832 0.93 HTR4 (0.66) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7387658 0.92 HTR4 (0.65) HTR4
SCHEMBL7386619 0.92 HTR4 (0.65) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7390754 0.92 HTR4 (0.68) HTR4
SCHEMBL7388674 0.92 HTR4 (0.67) HTR4
SCHEMBL7391277 0.92 HTR4 (0.67) HTR4
SCHEMBL7383008 0.92 HTR4 (0.68) HTR4
SCHEMBL7383377 0.92 HTR4 (0.68) HTR4

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed