SCHEMBL3468271

SCHEMBL3468271

CCN1CCC(c2ccc3ccccc3c2)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.53
▸ CHRM4 P08173 5/20 0.53
▸ CHRM5 P08912 5/20 0.53
▸ CHRM1 P11229 5/20 0.53
▸ CHRM3 P20309 5/20 0.53
▸ SLC6A4 P31645 3/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ KDM2B Q8NHM5 1/20 0.47
▸ CYP2D6 P10635 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL7086307 0.84 SLC6A2 (0.55) SLC6A4CYP2D6SLC6A2SLC6A3KCNH2
SCHEMBL3467519 0.84 SLC6A2 (0.55) SLC6A4CYP2D6SLC6A2SLC6A3KCNH2
SCHEMBL7086304 0.84 SLC6A2 (0.55) SLC6A4CYP2D6SLC6A2SLC6A3KCNH2
SCHEMBL7078601 0.80 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7078597 0.80 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14136275 0.77 DRD2 (0.71) SLC6A4DRD2CYP2D6SLC6A2SLC6A3
SCHEMBL8245301 0.76 TACR1 (0.52) —
SCHEMBL10773009 0.76 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7812301 0.73 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL4131932 0.72 FFAR1 (0.57) SLC6A4SLC6A2SLC6A3

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
WO-2010077200-A1 A COMPOSITION COMPRISING NOR-ADRENALINE AND A NET INHIBITOR FOR ADMINISTERING TO A BRAIN-DEAD, HEART-BEATING POTENTIAL ORGAN DONOR. IGELÖSA TRANSPLANTATION SCIENCE AB (SE) 2010-07-08 — — WO disclosed
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