SCHEMBL5687313

SCHEMBL5687313

CCCCCC1CCC2C(CCC3CC(C(=O)Oc4ccc(C#N)cc4)CCC32)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ POLB P06746 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL5687309 1.00 MGLL (0.43) MGLLPOLBRXFP1KDM1APGR
SCHEMBL5687276 0.99 MGLL (0.45) MGLLPOLBRXFP1KDM1APGR
SCHEMBL5687273 0.99 MGLL (0.45) MGLLPOLBRXFP1KDM1APGR
SCHEMBL5686476 0.97 MGLL (0.43) MGLLPOLBRXFP1KDM1APGR
SCHEMBL5686475 0.97 MGLL (0.43) MGLLPOLBRXFP1KDM1APGR
SCHEMBL11073582 0.95 MGLL (0.46) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL11073584 0.95 MGLL (0.46) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL11212590 0.94 MGLL (0.47) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL11209166 0.94 MGLL (0.47) MGLLPOLBRXFP1PGRUBE2N
SCHEMBL11208069 0.94 MGLL (0.47) MGLLPOLBRXFP1PGRUBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 — — US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 — — EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 — — EP disclosed
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