Sugi Predict

Sugi Predict / Compounds / SCHEMBL4280892

SCHEMBL4280892

SCHEMBL4280892

C[C@@H]1CCCCN1C1CCN(c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH3 Q9Y5N1 15/20 0.39
▸ ADRA1A P35348 1/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CHRM4 P08173 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
SCHEMBL4932074 1.00 L3MBTL3 (0.39) L3MBTL3L3MBTL1HRH3ADRA1ACDK4
SCHEMBL4136714 0.88 L3MBTL3 (0.51) L3MBTL3L3MBTL1HRH3ADRA1ACDK4
SCHEMBL4289427 0.87 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3CDK4
SCHEMBL4286340 0.86 MAPT (0.42) L3MBTL3L3MBTL1HRH3ADRA1ACHRM4
SCHEMBL4131366 0.86 MAPT (0.43) L3MBTL3L3MBTL1HRH3ADRA1A
SCHEMBL4130945 0.86 HRH3 (0.43) L3MBTL3L3MBTL1HRH3
SCHEMBL4938014 0.85 HRH3 (0.42) L3MBTL3L3MBTL1HRH3
SCHEMBL4147059 0.85 HRH3 (0.45) HRH3CDK4
SCHEMBL4428129 0.82 SMN1; SMN2 (0.46) L3MBTL3L3MBTL1HRH3ADRA1ACDK4
SCHEMBL4934963 0.82 HRH4 (0.41) HRH3CDK4

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-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 — — EP claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 — — WO claimed