SCHEMBL23316701

SCHEMBL23316701

CC(C)c1cccc2c1CCN2I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRB2 P47870 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL19046968 0.90 C5AR1 (0.35) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL16202644 0.80 HPGD (0.38) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL9914264 0.79 FAAH (0.36) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL10149300 0.77 FAAH (0.35) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL16202642 0.76 HRH3 (0.39) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL19964476 0.76 NOTUM (0.54) HPGDHTR2CHTR2BNOTUMALDH1A1
SCHEMBL16019534 0.74 TNKS (0.41) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL2611041 0.73 NOTUM (0.65) NOTUM
SCHEMBL19755626 0.72 C5AR1 (0.35) GABRA1FAAHTRPV1GABRG2GABRB3
SCHEMBL18373752 0.72 KEAP1 (0.38) LMNACYP1A2CYP3A4HPGDTSHR

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-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed