SCHEMBL20845882

SCHEMBL20845882

CCOc1cnc(OC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.46
▸ OXTR P30559 6/20 0.46
▸ AVPR1A P37288 5/20 0.42
▸ AVPR2 P30518 2/20 0.40
▸ CRHR1 P34998 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 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
SCHEMBL27485620 0.84 NNMT (0.52) NNMTMEN1PABPC1KMT2AMAPT
SCHEMBL17553321 0.83 NNMT (0.45) NNMTOXTRAVPR1ACRHR1MEN1
SCHEMBL16115684 0.79 MEN1 (0.37) NNMTOXTRAVPR1AMEN1PABPC1
SCHEMBL20845927 0.79 NNMT (0.41) NNMTMEN1KMT2AKDM4EGAA
SCHEMBL31274754 0.78 HPGD (0.39) OXTRKDM4EMAPTAOC3HTT
SCHEMBL19346801 0.78 HPGD (0.39) OXTRKDM4EMAPTAOC3HTT
SCHEMBL15382533 0.78 UHRF1 (0.45) MEN1KMT2AKDM4EMAPTAOC3
SCHEMBL14840944 0.77 NNMT (0.46) NNMTOXTRMEN1PABPC1KMT2A
SCHEMBL20845912 0.76 NNMT (0.45) NNMTOXTRCRHR1MEN1PABPC1
SCHEMBL16475219 0.76 NNMT (0.49) NNMTOXTRMEN1PABPC1KMT2A

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-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 — — EP disclosed
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