SCHEMBL9787828

SCHEMBL9787828

CCCCCCCCCCC(C)(C)C1=NCCO1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.36
KCNN4 O15554 1/20 0.35
CNR1 P21554 3/20 0.33

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
SCHEMBL9787900 1.00 CNR2 (0.36) CNR2KCNN4CNR1
SCHEMBL19224098 1.00 CNR2 (0.36) CNR2KCNN4CNR1
SCHEMBL29733340 0.93 KCNN4 (0.37) CNR2KCNN4
SCHEMBL19224174 0.90 CNR2 (0.35) CNR2CNR1
SCHEMBL19223639 0.90 CNR2 (0.35) CNR2CNR1
SCHEMBL959232 0.86 KCNN4 (0.35) KCNN4
SCHEMBL381339 0.86 KCNN4 (0.35) KCNN4
SCHEMBL30670324 0.85 KCNN4 (0.39) KCNN4
SCHEMBL9003862 0.84 KCNN4 (0.36) KCNN4
SCHEMBL19223923 0.83 KCNN4 (0.33) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030629-A Transdermal Administration Of Cardiovascular Agents THERAPEUTIC PATCH RESEARCH N.V. 1991-07-09 US disclosed
US-4876249-A TOPICAL; TRANSDERMAL, SYSTEMIC; FLUOCINOLINE ACETONIDE AND IMIDAZOLINE OR OXAZOLINE PENETRATION ENHANCER MIXTURE; THERAPEUTIC DRUGS THERAPEUTIC PATCH RESEARCH N.V. 1989-10-24 US disclosed
EP-0296199-A1 HETEROCYCLIC COMPOUNDS FOR TRANSDERMAL USE RAJADHYAKSHA, Vithal J. (US) 1988-12-28 EP disclosed
WO-1988004938-A1 HETEROCYCLIC COMPOUNDS FOR TRANSDERMAL USE RAJADHYAKSHA VITHAL J (US) 1988-07-14 WO disclosed