SCHEMBL4964715

SCHEMBL4964715

Cc1cc([N+](=O)[O-])c(NC2CCNCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HCAR3 P49019 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 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
SCHEMBL8241534 0.84 MAPT (0.48) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL8241703 0.82 MAPT (0.48) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL17896593 0.78 MAPT (0.56) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL29525723 0.78 MAPT (0.56) MAPTCYP1A2CYP2C19CYP2C9HTT
Bromide SCHEMBL11023029 0.77 HCAR3 (0.52) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL28737547 0.77 MAPT (0.55) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL14413848 0.76 MAPT (0.40) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL4965097 0.76 BRD4 (0.41) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL20338334 0.76 MEN1 (0.58) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL13689794 0.75 MAPT (0.41) MAPTCYP1A2CYP2C19CYP2C9HTT

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-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
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