SCHEMBL11096043

SCHEMBL11096043

CCCCCCCCNC(C)C(O)c1ccc(C(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
SLC6A2 P23975 3/20 0.72
SLC6A4 P31645 3/20 0.72
OPRM1 P35372 3/20 0.72
HIF1A Q16665 3/20 0.72
CYP2D6 P10635 3/20 0.72
ADRA1A P35348 2/20 0.72
SLC6A3 Q01959 2/20 0.72
ADRB3 P13945 2/20 0.72
SIGMAR1 Q99720 2/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C19 P33261 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 1/20 0.72
XBP1 P17861 1/20 0.72
KMT2A Q03164 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
ABCB11 O95342 1/20 0.72
EGFR P00533 1/20 0.72

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
SCHEMBL27713482 0.87 LMNA (0.68) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL8644590 0.87 LMNA (0.68) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL16784192 0.87 LMNA (0.68) LMNASLC6A2SLC6A4OPRM1HIF1A
Hydrochloric Acid SCHEMBL4924515 0.86 LMNA (0.66) LMNASLC6A2SLC6A4OPRM1HIF1A
Hydrochloric Acid SCHEMBL4931174 0.86 LMNA (0.66) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL4382670 0.85 LMNA (0.65) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL11098346 0.85 LMNA (0.65) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL11099420 0.85 LMNA (0.65) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL11457910 0.85 SLC6A4 (0.78) LMNASLC6A2SLC6A4OPRM1HIF1A
SCHEMBL18590346 0.85 LMNA (0.65) LMNASLC6A2SLC6A4OPRM1HIF1A

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
US-4474977-A CARDIOVASCULAR DIORDERS, ANTISPASMODIC AGENTS CONTINENTAL PHARMA S.A. (BE) 1984-10-02 US disclosed