SCHEMBL9215244

SCHEMBL9215244

CCCCCCCCN(CCCCCCCC)C1CC(C)CCC1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.40
TRPA1 O75762 2/20 0.40
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
EPHX1 P07099 1/20 0.35
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DNM1 Q05193 1/20 0.31
KCNA5 P22460 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
SCHEMBL9753953 0.86 OPRM1 (0.42) OPRM1TRPM8TRPA1ADH1CADH1A
Hydrochloric Acid SCHEMBL14320260 0.76 OPRM1 (0.33) OPRM1TRPM8TRPA1ALDH1A1
SCHEMBL31105805 0.74 TRPM8 (0.48) OPRM1TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL6869088 0.74 EPHX1 (0.51) OPRM1TRPM8TRPA1ADH1CADH1A
SCHEMBL8038624 0.73 OPRM1 (0.34) OPRM1TRPM8TRPA1EPHX1
SCHEMBL5307491 0.73 TRPM8 (0.47) OPRM1TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL6870235 0.72 EPHX1 (0.49) OPRM1TRPM8TRPA1ADH1CADH1A
SCHEMBL584442 0.72 EPHX1 (0.39) OPRM1TRPM8TRPA1EPHX1
Menthol SCHEMBL27673361 0.71 TRPM8 (0.78) OPRM1TRPM8TRPA1EPHX1ALDH1A1
SCHEMBL5307624 0.70 TRPM8 (0.44) OPRM1TRPM8TRPA1EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP disclosed
US-5364853-A Treatment of disorders associated with vascular, respiratory, gastrointestinal tract, urinary bladder or uterus smooth muscle contraction RHONE-POULENC RORER LIMITED (GB) 1994-11-15 US disclosed
EP-0377532-B1 THIOFORMAMIDE DERIVATIVES MAY AND BAKER LIMITED (GB) 1992-07-29 EP disclosed
US-5104883-A Cardiovascular, respiratory, gastrointestirol, urogenital disorders; baldness; premature labor MAY & BAKER LIMITED (GB) 1992-04-14 US disclosed
EP-0377532-A1 Thioformamide derivatives MAY AND BAKER LIMITED (GB) 1990-07-11 EP disclosed