SCHEMBL13074485

SCHEMBL13074485

CC(C)CC1(C(=C2CC2)N2CCc3ncc(C(F)(F)F)cc3C2)CCN(Cc2ccc3ccc(=O)n(C)c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.37
▸ SLC6A9 P48067 3/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ KCNH2 Q12809 10/20 0.34
▸ MCHR2 Q969V1 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL1119859 0.92 CCR2 (0.41) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119826 0.81 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119807 0.81 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119805 0.81 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL3735950 0.81 CCR2 (0.42) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL3742106 0.81 CCR2 (0.42) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119890 0.81 CCR2 (0.42) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1120009 0.80 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13011606 0.79 CCR2 (0.39) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL1119781 0.78 CCR2 (0.41) CCR2CCR1TMEM97SIGMAR1KCNH2

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-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 — — WO disclosed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
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