SCHEMBL7032508

SCHEMBL7032508

CCC(C(N)=O)c1cccc2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
PRMT5 O14744 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
SCHEMBL2820806 0.81 PARP1 (0.56) PARP1
SCHEMBL2817256 0.79 PARP1 (0.54) PARP1
SCHEMBL7036443 0.78 PARP1 (0.34) PARP1
SCHEMBL20032408 0.77 PARP1 (0.42) PARP1
SCHEMBL18713659 0.76 TSHR (0.42) PARP1
SCHEMBL2497545 0.74 PARP1 (0.50) PARP1PRMT5
SCHEMBL7856459 0.72 PARP1 (0.47) PARP1PRMT5
SCHEMBL2611049 0.72 PARP1 (0.46) PARP1
SCHEMBL2127994 0.72 HTR2A (0.47) PARP1
SCHEMBL1972827 0.70 GPR84 (0.59)

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-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed