SCHEMBL1814519

SCHEMBL1814519

Cc1ccc[c]c1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALOX12 P18054 1/20 0.30
EPHX1 P07099 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
SCHEMBL1816231 0.98 SIGMAR1 (0.34) HTR2CGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL458991 0.92 HTR2C (0.34) HTR2C
SCHEMBL3775713 0.79 KDM1A (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3775753 0.79 ESR1 (0.41) HTR2C
SCHEMBL3762169 0.79 ESR2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1819043 0.78 HTR1A (0.36)
SCHEMBL2033942 0.77 HTR2C (0.46) HTR2C
SCHEMBL529103 0.76 PTGDR2 (0.36)
SCHEMBL9644212 0.76 PTGDR2 (0.36)
SCHEMBL19405506 0.76 GLA (0.34) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN claimed
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
EP-2493906-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-09-05 EP disclosed
WO-2011051404-A1 HETEROLEPTIC CARBENE COMPLEXES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-05-05 WO disclosed