SCHEMBL6162821

SCHEMBL6162821

CC1(C)CC(=O)c2c(c(C3CC3)nn2-c2ccc(Cl)nn2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
OPRM1 P35372 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
CYP11B2 P19099 4/20 0.36
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PANK3 Q9H999 1/20 0.32

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
SCHEMBL6165838 0.82 OPRM1 (0.62) CCNA2CDK2OPRM1
SCHEMBL6185430 0.72 CCNA2 (0.43) CCNA2CDK2OPRM1SMN1; SMN2RAB9A
SCHEMBL6177791 0.70 CCNA2 (0.43) CCNA2CDK2OPRM1SMN1; SMN2RAB9A
SCHEMBL6166582 0.69 OPRM1 (0.64) CCNA2CDK2OPRM1KMT2AHTT
SCHEMBL6166153 0.69 CCNA2 (0.47) CCNA2CDK2OPRM1
SCHEMBL6162980 0.69 CCNA2 (0.40) CCNA2CDK2OPRM1SMN1; SMN2RAB9A
SCHEMBL6165472 0.68 CCNA2 (0.42) CCNA2CDK2OPRM1SMN1; SMN2RAB9A
SCHEMBL6164556 0.67 CCNA2 (0.39) CCNA2CDK2OPRM1SMN1; SMN2RAB9A
SCHEMBL6167734 0.67 OPRM1 (0.49) CCNA2CDK2OPRM1
SCHEMBL6165095 0.65 ALDH1A1 (0.58) CCNA2CDK2OPRM1KMT2ALMNA

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-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed