SCHEMBL16502363

SCHEMBL16502363

Cc1ccc(CCCc2ccccc2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ IGF1R P08069 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAOB P27338 2/20 0.42
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL17471720 0.79 CYP4A11 (0.41) IGF1RALOX15
SCHEMBL19559097 0.79 TAAR1 (0.45) IGF1RALOX15
SCHEMBL257868 0.78 HTR2A (0.52) HTR2AIGF1RALOX15MAOBNOS3
SCHEMBL17471702 0.78 BCHE (0.42) IGF1RALOX15
SCHEMBL17471707 0.77 CYP1A2 (0.53) —
SCHEMBL14593527 0.76 S1PR1 (0.42) NOS3NOS1
SCHEMBL17471728 0.76 BCHE (0.44) IGF1RALOX15
SCHEMBL24620667 0.76 S1PR1 (0.41) —
SCHEMBL14268146 0.76 CNR1 (0.45) —
SCHEMBL10830903 0.75 S1PR1 (0.40) TDP1

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
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 — — EP disclosed
Send feedback