SCHEMBL5808374

SCHEMBL5808374

CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2CC2(C(=O)O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.69
TMEM97 Q5BJF2 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
TACR2 P21452 1/20 0.61
TACR1 P25103 1/20 0.61

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
SCHEMBL3748189 1.00 TACR3 (0.69) TACR3TMEM97SIGMAR1TACR2TACR1
SCHEMBL3741510 1.00 TACR3 (0.69) TACR3TMEM97SIGMAR1TACR2TACR1
SCHEMBL5803784 0.94 TACR3 (0.65) TACR3TACR2TACR1
SCHEMBL3745701 0.94 TACR3 (0.65) TACR3TACR2TACR1
SCHEMBL3743329 0.94 TACR3 (0.65) TACR3TACR2TACR1
SCHEMBL3739912 0.91 TACR3 (0.69) TACR3TACR2TACR1
SCHEMBL3741220 0.91 TACR3 (0.69) TACR3TACR2TACR1
SCHEMBL6024729 0.91 TACR3 (0.69) TACR3TACR2TACR1
SCHEMBL3742055 0.90 TMEM97 (0.61) TACR3TMEM97SIGMAR1
SCHEMBL3751047 0.90 TACR3 (0.70) TACR3TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO claimed