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SCHEMBL4731663

SCHEMBL4731663

CC(C)CC1(C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccn2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLQ O75417 1/20 0.36

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
SCHEMBL4731354 0.74 TACR1 (0.40) TACR1POLBSLC6A2SLC6A4TP53
SCHEMBL4731572 0.74 PSEN1 (0.39) TACR1
SCHEMBL4728949 0.73 TACR1 (0.35) TACR1SLC6A2SLC6A4TP53
SCHEMBL4731307 0.73 CETP (0.44) TACR1
SCHEMBL4732423 0.71 CETP (0.41) TACR1
SCHEMBL4731680 0.71 CETP (0.43) TACR1
SCHEMBL4731447 0.71 PTGDR2 (0.42) TACR1TP53
SCHEMBL4732645 0.71 CCR2 (0.42) TACR1SLC6A2SLC6A4
SCHEMBL4797150 0.70 TACR1 (0.59) TACR1
SCHEMBL3998806 0.70 TACR1 (0.34) TACR1SLC6A2SLC6A4

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-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO claimed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO disclosed