SCHEMBL8315418

SCHEMBL8315418

COc1ccccc1C(O)(c1ccccc1OC)C1CCN(CCCN2Cc3nnc(C)n3-c3ccccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
CYP2J2 P51589 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
HRH1 P35367 2/20 0.37
KCNH2 Q12809 2/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL8317297 0.89 HRH1 (0.39) CYP2J2SLC6A4SLC6A2HRH1KCNH2
SCHEMBL8315487 0.87 CYP2J2 (0.39) PAX8CYP2J2SLC6A4SLC6A2HRH1
SCHEMBL8317157 0.85 CYP2J2 (0.45) PAX8CYP2J2HRH1KCNH2
SCHEMBL8313333 0.85 HRH1 (0.43) PAX8CYP2J2SLC6A4SLC6A2HRH1
SCHEMBL8314774 0.84 CYP2J2 (0.47) PAX8CYP2J2HRH1KCNH2
SCHEMBL8316037 0.81 HRH1 (0.46) CYP2J2SLC6A4SLC6A2HRH1KCNH2
SCHEMBL8523260 0.81 HRH1 (0.37) CYP2J2SLC6A4SLC6A2HRH1KCNH2
SCHEMBL8317429 0.81 HRH1 (0.39) CYP2J2SLC6A4SLC6A2HRH1KCNH2
SCHEMBL8312317 0.80 HRH1 (0.48) CYP2J2SLC6A4SLC6A2HRH1KCNH2
SCHEMBL8315211 0.80 HRH1 (0.46) CYP2J2SLC6A4SLC6A2HRH1KCNH2

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed