SCHEMBL4667075

SCHEMBL4667075

CN1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NCCc2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.57
KCNH2 Q12809 5/20 0.57
TACR2 P21452 13/20 0.53
LMNA P02545 1/20 0.52
OPRM1 P35372 7/20 0.51

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
SCHEMBL4668628 0.85 LMNA (0.49) TACR3KCNH2TACR2LMNAOPRM1
SCHEMBL4665602 0.82 LMNA (0.57) TACR3TACR2LMNAOPRM1
SCHEMBL5045996 0.82 LMNA (0.57) TACR3TACR2LMNAOPRM1
SCHEMBL4665580 0.81 LMNA (0.55) TACR3TACR2LMNA
SCHEMBL5042633 0.81 LMNA (0.56) TACR3TACR2LMNAOPRM1
SCHEMBL4667328 0.80 LMNA (0.53) TACR3TACR2LMNAOPRM1
SCHEMBL4668727 0.80 LMNA (0.53) TACR3TACR2LMNA
SCHEMBL5042219 0.80 LMNA (0.55) TACR3TACR2LMNAOPRM1
SCHEMBL4667842 0.79 TACR3 (0.56) TACR3TACR2LMNA
SCHEMBL5045776 0.79 CYP2D6 (0.56) TACR3TACR2LMNA

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-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed