SCHEMBL8775599

SCHEMBL8775599

O=C(O)C1=CN2CCCc3cccc(c32)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.40
CES1 P23141 2/20 0.38
HTR2C P28335 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX12 P18054 1/20 0.37
AKR1C3 P42330 1/20 0.36
NOTUM Q6P988 2/20 0.36
HTR2B P41595 1/20 0.34

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
SCHEMBL11202182 0.91 NOTUM (0.39) MCL1HTR2CMEN1KMT2AAKR1C3
Hydrochloric Acid SCHEMBL10432400 0.89 NOTUM (0.38) MCL1HTR2CMEN1KMT2AAKR1C3
SCHEMBL9273390 0.78 MCL1 (0.39) MCL1KMT2ANOTUM
SCHEMBL28414326 0.72 NOTUM (0.31) NOTUM
SCHEMBL9227676 0.71 GAA (0.33) MEN1KMT2AHTTALOX12NOTUM
SCHEMBL6780552 0.70 TRPA1 (0.35)
Water SCHEMBL10588716 0.70 MAOA (0.34)
SCHEMBL11724902 0.70 SRD5A2 (0.34)
Hydrochloric Acid SCHEMBL10435581 0.70 GAA (0.33) MEN1KMT2AALOX12
SCHEMBL7210084 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed