SCHEMBL13980418

SCHEMBL13980418

O=C(OCCN(Cc1ccccc1)Cc1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK14 Q16539 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
FAAH O00519 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
CHRM4 P08173 1/20 0.49
MGLL Q99685 1/20 0.48
GRIN2B Q13224 1/20 0.48
OPRM1 P35372 1/20 0.48

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
Benrixate SCHEMBL1815513 0.89 L3MBTL1 (0.58) L3MBTL1RAB9ACYP2C9CYP2C19MAPK14
SCHEMBL13079367 0.82 ALDH1A1 (0.54) L3MBTL1RAB9ACYP2C19MEN1KMT2A
SCHEMBL13079967 0.81 TSHR (0.46) L3MBTL1RAB9ACYP2C19MEN1KMT2A
SCHEMBL6983413 0.80 L3MBTL1 (0.62) L3MBTL1RAB9ACYP2C9CYP2C19MAPK14
SCHEMBL7035631 0.80 SMN1; SMN2 (0.60) L3MBTL1RAB9ACYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL7038768 0.79 SMN1; SMN2 (0.58) L3MBTL1RAB9ACYP2C9CYP2C19MEN1
SCHEMBL13079883 0.78 ALDH1A1 (0.50) L3MBTL1RAB9ACYP2C19MEN1KMT2A
SCHEMBL4674582 0.78 MEN1 (0.55) L3MBTL1RAB9ACYP2C9CYP2C19MAPK14
SCHEMBL4674578 0.78 MEN1 (0.55) L3MBTL1RAB9ACYP2C9CYP2C19MAPK14
SCHEMBL13079323 0.77 DPP7 (0.46) L3MBTL1RAB9ACYP2C19MEN1KMT2A

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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed