SCHEMBL12183955

SCHEMBL12183955

NN1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ AADAT Q8N5Z0 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ PNMT P11086 4/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ DPP4 P27487 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38

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
SCHEMBL15025140 0.85 NOTUM (0.44) DPP7ALDH1A1AADATPNMTTDP2
SCHEMBL2056192 0.80 DPP7 (0.47) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL13923531 0.77 DPP7 (0.45) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL13939996 0.77 DPP7 (0.51) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL23745348 0.77 DPP7 (0.48) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL13938028 0.76 TMEM97 (0.54) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL13594616 0.74 DPP7 (0.56) DPP7ALDH1A1DPP4NAMPTNOTUM
SCHEMBL23938535 0.73 HTR2A (0.41) ALDH1A1AADATPNMTNOTUM
SCHEMBL20178647 0.73 TMEM97 (0.52) DPP7ALDH1A1TMEM97SIGMAR1PNMT
SCHEMBL27974149 0.72 TDP2 (0.49) AADATPNMTTDP2PARP1PARP10

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
EP-2569298-B1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 — — EP disclosed
WO-2011141474-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 — — WO disclosed
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