SCHEMBL11330427

SCHEMBL11330427

COCCC(=O)N(c1ccc(OC)cc1)C1CCCCCC1N(C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.46
▸ KCNA5 P22460 1/20 0.45
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ YAP1 P46937 1/20 0.42
▸ TEAD4 Q15561 1/20 0.42
▸ RNF4 P78317 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11571013 0.97 SLC18A3 (0.44) SLC18A3KCNA5MMP1MMP9MMP13
SCHEMBL11341305 0.85 SIGMAR1 (0.45) TRPM8SIGMAR1MAPT
SCHEMBL11347000 0.84 SIGMAR1 (0.41) TRPM8SIGMAR1MAPT
SCHEMBL11334204 0.82 SLC18A3 (0.52) SLC18A3CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL11330424 0.82 SLC18A3 (0.43) SLC18A3MAPK1CHRM2CHRM3SIGMAR1
SCHEMBL11454737 0.82 SIGMAR1 (0.43) TRPM8CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL11350705 0.81 ALDH1A1 (0.45) TRPM8CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL11572457 0.81 TSHR (0.41) TRPM8SIGMAR1MAPT
SCHEMBL11595372 0.79 SLC18A3 (0.50) SLC18A3CHRM2CHRM3SIGMAR1OPRM1
SCHEMBL11337129 0.79 MEN1 (0.40) SLC18A3TRPM8SIGMAR1OPRM1

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
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
Send feedback