SCHEMBL7779564

SCHEMBL7779564

C(=C/[C@@H]1C[C@H]1c1c[nH]cn1)\CCC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL8395731 1.00 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7784064 1.00 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7787707 1.00 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7786495 1.00 CDK1 (0.30) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8397477 0.79
SCHEMBL8397476 0.79
SCHEMBL8397478 0.79
SCHEMBL7787690 0.77
SCHEMBL7784670 0.77
SCHEMBL7786335 0.77

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
EP-0837679-B1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 2001-10-24 EP disclosed
US-6008240-A AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-12-28 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed