SCHEMBL10340656

SCHEMBL10340656

O=C(CCc1ccc(O)c(O)c1)NC1CCN(CCCc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
ALOX15 P16050 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
CCR2 P41597 2/20 0.46
CHRM1 P11229 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
DRD4 P21917 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
LMNA P02545 1/20 0.44
TEAD1 P28347 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR3 P49682 1/20 0.44

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
SCHEMBL10340425 0.94 SIGMAR1 (0.48) SIGMAR1CHRM1MAOAMAOBDRD4
Hydrochloric Acid SCHEMBL10338967 0.90 SIGMAR1 (0.57) SIGMAR1CHRM1MAOAMAOBDRD4
SCHEMBL10340659 0.88 DRD4 (0.57) IGF1RALOX15SIGMAR1CHRM1MAOA
SCHEMBL10340421 0.86 SIGMAR1 (0.58) IGF1RALOX15SIGMAR1CHRM1MAOA
SCHEMBL10340427 0.86 L3MBTL1 (0.60) SIGMAR1MAOAMAOBLMNAL3MBTL1
SCHEMBL10340306 0.84 SIGMAR1 (0.67) SIGMAR1CHRM1MAOAMAOBDRD4
SCHEMBL10340415 0.82 SIGMAR1 (0.67) SIGMAR1DRD4CXCR3
SCHEMBL10340664 0.81 SIGMAR1 (0.67) SIGMAR1MAOAMAOB
SCHEMBL3586870 0.80 SIGMAR1 (0.55) SIGMAR1DRD4HRH3LMNATEAD1
SCHEMBL10340309 0.78 CCR5 (0.52) SIGMAR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354568-A2 Novel catechol derivatives Japan Tobacco Inc. (JP) 1990-02-14 EP claimed
EP-0354568-A2 Novel catechol derivatives Japan Tobacco Inc. (JP) 1990-02-14 EP disclosed