SCHEMBL4752774

SCHEMBL4752774

Cc1c(F)cccc1[C@@H]1[C@@H](C(=O)c2cccc(O)c2)CN(CCC[C@H](N(C)C)C(C)(C)O)C[C@H]1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.30

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
SCHEMBL4752773 1.00 TACR1 (0.30) TACR1
SCHEMBL4751707 1.00 TACR1 (0.30) TACR1
SCHEMBL4751702 1.00 TACR1 (0.30) TACR1
SCHEMBL4019044 0.89 BCHE (0.34) TACR1
SCHEMBL4752003 0.89 BCHE (0.34) TACR1
SCHEMBL4752006 0.89 BCHE (0.34) TACR1
SCHEMBL4749085 0.89 HTR1A (0.31)
SCHEMBL4749073 0.89 HTR1A (0.31)
SCHEMBL4749520 0.88 SCN9A (0.32)
SCHEMBL4028516 0.88 BCHE (0.35) TACR1

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed