SCHEMBL13575302

SCHEMBL13575302

CCNCCC(C)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 3/20 0.34
▸ GNAO1 P09471 3/20 0.34
▸ GNAI1 P63096 3/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SAT1 P21673 1/20 0.32
▸ CPN1 P15169 1/20 0.30
▸ CPB2 Q96IY4 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
SCHEMBL20621500 0.78 CPN1 (0.34) GNAI3GNAO1GNAI1KCNH2CPN1
Hydrochloric Acid SCHEMBL28724091 0.76 GNAO1 (0.36) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL28232426 0.75 GNAO1 (0.39) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL2581355 0.74 CPN1 (0.38) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL24170295 0.73 CPN1 (0.36) GNAI3GNAO1GNAI1KCNH2CPN1
SCHEMBL8133047 0.73 CPN1 (0.36) GNAI3GNAO1GNAI1KCNH2CPN1
SCHEMBL3653310 0.73 CPN1 (0.36) GNAI3GNAO1GNAI1KCNH2CPN1
SCHEMBL24897495 0.73 GNAO1 (0.42) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL2588923 0.73 GNAI3 (0.38) GNAI3GNAO1GNAI1CPN1CPB2
SCHEMBL149436 0.72 CPN1 (0.37) CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009149381-A2 CHEMICAL FRAMEWORK COMPOSITIONS AND METHODS OF USE THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2009-12-10 — — WO disclosed
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