SCHEMBL31539906

SCHEMBL31539906

Cn1nc2cccc(OCC3CC3)c2c1C(=O)NCCNS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ MRGPRX1 Q96LB2 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ DCPS Q96C86 4/20 0.35
▸ GUCY1B2 O75343 2/20 0.35
▸ GUCY1A2 P33402 2/20 0.35
▸ GUCY1A1 Q02108 2/20 0.35
▸ GUCY1B1 Q02153 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ HTR4 Q13639 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL31539888 0.85 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DDCPS
SCHEMBL30714740 0.79 MTNR1A (0.43) SCN9AHTR4CYP1A2CYP2C9ALOX15
SCHEMBL31539880 0.78 CNR2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL31539900 0.74 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL31539902 0.74 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL8540497 0.72 DCPS (0.41) DCPSKDM4CDHFRBRD4
SCHEMBL31539865 0.71 CNR2 (0.35) DCPSGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL31539867 0.69 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4C
SCHEMBL30714619 0.63 KDM4E (0.43) —
SCHEMBL14798300 0.62 MRGPRX1 (0.57) PDE4APDE4BPDE4CPDE4DMRGPRX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968362-A Indazole derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-05-09 — — CN disclosed
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