SCHEMBL20389488

SCHEMBL20389488

CCCNC(C)(C)CC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL29725088 0.94 CYP1A2 (0.43) CYP1A2SIGMAR1
SCHEMBL29725093 0.82 CYP1A2 (0.50) CYP1A2SIGMAR1
SCHEMBL9210867 0.81 CYP1A2 (0.44) CYP1A2SIGMAR1
SCHEMBL29401544 0.77 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL29766202 0.72 SIGMAR1 (0.36) CYP1A2SIGMAR1
SCHEMBL22507922 0.70 EPHX1 (0.38) CYP1A2SIGMAR1
SCHEMBL10580160 0.69
SCHEMBL26256340 0.69 SIGMAR1 (0.39) CYP1A2SIGMAR1
SCHEMBL24127642 0.67 CYP1A2 (0.44) CYP1A2SIGMAR1
SCHEMBL29568023 0.67 SIGMAR1 (0.42) CYP1A2SIGMAR1

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-2888255-B1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE UNIV TEXAS (US) 2018-07-18 EP disclosed