SCHEMBL13074817

SCHEMBL13074817

C=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC#N)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 17/20 0.34
▸ KCNH2 Q12809 10/20 0.34
▸ CCR1 P32246 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1120129 0.93 CCR2 (0.38) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13074577 0.90 CCR2 (0.35) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119970 0.86 CCR2 (0.40) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13011667 0.84 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119842 0.84 CCR2 (0.40) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1120068 0.84 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13011668 0.84 CCR2 (0.39) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13011550 0.83 CCR2 (0.38) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL1119813 0.83 KCNH2 (0.42) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13078618 0.83 KCNJ1 (0.32) SMN1; SMN2

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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