SCHEMBL5752253

SCHEMBL5752253

O/N=C1/C=C2CC=CC=C2Sc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL6259869 0.80 MAPT (0.36) HPGDGPR84
SCHEMBL9958782 0.74 GPR84 (0.33) GPR84
SCHEMBL8132104 0.67 KDM4E (0.34) HPGD
SCHEMBL5001270 0.63 CYP1A2 (0.33)
SCHEMBL28006187 0.61
SCHEMBL30626777 0.61
SCHEMBL9673747 0.58 ALDH1A1 (0.44) HPGD
SCHEMBL11074497 0.58 ALDH1A1 (0.41) HPGD
SCHEMBL2536697 0.58 TRPA1 (0.36)
SCHEMBL19026492 0.58

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-1687314-A1 PREPARATION OF 1-AZA-2-OXA-DIBENZO [e,h] AZULENES AND THEIR USE FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva-Istrazivacki Institut D.D.O. (HR) 2006-08-09 EP disclosed
WO-2005049623-A1 PREPARATION OF 1-AZA-2-OXA-DIBENZO[e,h]AZULENES AND THEIR USE FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO disclosed