SCHEMBL10191540

SCHEMBL10191540

CCC1CC(N2CCN(CCF)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL20060142 0.81 SIGMAR1 (0.33) TMEM97SIGMAR1
SCHEMBL19936909 0.79 TMEM97 (0.33) TMEM97SIGMAR1
SCHEMBL19936808 0.79 TMEM97 (0.33) TMEM97SIGMAR1
SCHEMBL10191535 0.78 KDM4E (0.34)
SCHEMBL12458621 0.78 TMEM97 (0.31) TMEM97SIGMAR1
SCHEMBL8435896 0.74 NCF1 (0.38) SIGMAR1
SCHEMBL10191534 0.73 LTA4H (0.34)
SCHEMBL15444856 0.73 NCF1 (0.39) TMEM97SIGMAR1
SCHEMBL24718638 0.71 LTA4H (0.33)
SCHEMBL24717530 0.71 LTA4H (0.33)

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
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
WO-2012010704-A1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 WO disclosed