SCHEMBL10777573

SCHEMBL10777573

CC(NCCCCc1ccccc1)C(O)c1ccc2c(c1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ADRB2 P07550 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ SLC6A2 P23975 3/20 0.40
▸ OPRM1 P35372 3/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ CYP2D6 P10635 2/20 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
SCHEMBL10777564 0.84 ADRA1A (0.59) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8974286 0.82 SIGMAR1 (0.45) SIGMAR1ADRB2LMNAHIF1ASLC6A2
Tibalosin SCHEMBL8974326 0.79 SIGMAR1 (0.41) SIGMAR1ADRB2LMNAHIF1ASLC6A2
Tibalosin SCHEMBL1254588 0.78 SIGMAR1 (0.41) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974546 0.77 SIGMAR1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974885 0.76 ADRB1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL10776744 0.76 GRIN2B (0.39) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL8974994 0.75 SIGMAR1 (0.40) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL10779305 0.73 SIGMAR1 (0.45) SIGMAR1ADRB2LMNAHIF1ASLC6A2
SCHEMBL7381182 0.73 SIGMAR1 (0.57) SIGMAR1ADRB2LMNAHIF1ASLC6A2

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-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 — — US disclosed
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