SCHEMBL21969939

SCHEMBL21969939

CC(Cn1ccc(-c2ccc(F)cn2)n1)N(C)C(=O)c1cc(F)ccc1-c1ncccn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.64
HCRTR2 O43614 20/20 0.64

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
SCHEMBL16648767 1.00 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL16648544 0.94 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL16648493 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL16649090 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL16648579 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL16648783 0.81 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL16648792 0.80 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL15326988 0.80 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL16648746 0.79 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL16648638 0.79 HCRTR1 (0.71) HCRTR1HCRTR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442965-B1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-05-26 EP disclosed
EP-3442966-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]- AND N-[(PYRIDINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-10-14 EP disclosed
EP-3442967-B1 NOVEL N-[(PYRIMIDINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-13 EP disclosed
EP-3442963-B1 N-[(PYRAZINYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442964-B1 NOVEL N-[(PYRIMIDINYLAMINO)PROPANYL]-AND N [(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed