SCHEMBL4747092

SCHEMBL4747092

O=[N+]([O-])c1c(F)cc(F)cc1NC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GAA P10253 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ HCAR3 P49019 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28995655 0.90 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL14413848 0.86 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL24266297 0.75 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL34472545 0.75 HCAR3 (0.40) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4749323 0.75 CCNA2 (0.41) CCNA2CDK2HTR6CTSLCTSB
SCHEMBL18202585 0.73 HCAR3 (0.43) MAPTCYP1A2CYP2C9CYP2C19CDK2
SCHEMBL8241703 0.73 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL4964715 0.73 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL14042956 0.72 ALDH1A1 (0.50) MAPTHTTLMNAALDH1A1KCNH2
SCHEMBL27644625 0.72 KDM1A (0.40) CCNA2CDK2HTR6KCNH2CTSL

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-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 — — WO disclosed
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