SCHEMBL6022976

SCHEMBL6022976

CN(CCc1ccccc1)C(=O)[C@@]1(c2ccc(F)cc2)CC1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.66

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
SCHEMBL2476579 0.90 TACR3 (0.75) TACR3
SCHEMBL2477431 0.90 TACR3 (0.75) TACR3
SCHEMBL2473310 0.89 TACR3 (0.74) TACR3
SCHEMBL2480768 0.89 TACR3 (0.74) TACR3
SCHEMBL2475958 0.86 TACR3 (0.75) TACR3
SCHEMBL2473182 0.86 TACR3 (0.75) TACR3
SCHEMBL2482686 0.86 TACR3 (0.82) TACR3
SCHEMBL2479971 0.86 TACR3 (0.82) TACR3
SCHEMBL2473983 0.85 TACR3 (0.71) TACR3
SCHEMBL2476364 0.85 TACR3 (0.71) TACR3

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-1656349-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. Lundbeck A/S (DK) 2006-05-17 EP disclosed
WO-2005016884-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2005-02-24 WO disclosed