SCHEMBL16447033

SCHEMBL16447033

COc1ccc(C(CCCc2ccc(C(=O)O)cc2)(CCN2CCCCC2)NC(=O)c2nc(Cl)c(N)nc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 10/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37

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
Hydrochloric Acid SCHEMBL16446588 0.84 ALDH1A1 (0.42) SCNN1AALDH1A1SMN1; SMN2POLB
SCHEMBL16447291 0.83 SCNN1A (0.41) SCNN1A
Hydrochloric Acid SCHEMBL16446565 0.79 MEN1 (0.43) SCNN1AALDH1A1SMN1; SMN2POLB
SCHEMBL20683803 0.71 SCNN1A (0.54) SCNN1ADRD2
SCHEMBL16443462 0.69 SCNN1A (0.49) SCNN1A
SCHEMBL16453260 0.68 SCNN1A (0.58) SCNN1A
Hydrochloric Acid SCHEMBL20677525 0.67 SCNN1A (0.57) SCNN1A
SCHEMBL16443690 0.67 SCNN1A (0.54) SCNN1A
Hydrochloric Acid SCHEMBL16446857 0.66 POLB (0.43) SCNN1AALDH1A1POLB
Hydrochloric Acid SCHEMBL16447320 0.66 SCNN1A (0.40) SCNN1AALDH1A1POLB

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-3030555-A1 NOVEL PYRAZINE AMIDE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2016-06-15 — — EP disclosed
WO-2015018754-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 — — WO disclosed
Send feedback