SCHEMBL3849984

SCHEMBL3849984

CN1CCN(c2ccc(CN(C(=O)C(=O)Nc3ccc(Cl)cc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR7 P34969 3/20 0.42
DRD3 P35462 3/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
EP300 Q09472 2/20 0.41
PANK3 Q9H999 1/20 0.41
PPARG P37231 1/20 0.41
CACNA1H O95180 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3828851 0.91 RAB9A (0.55) RAB9AKMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3826601 0.84 RAB9A (0.48) RAB9AKMT2AKDM4EHTR1ADRD2
SCHEMBL3825171 0.84 RAB9A (0.53) RAB9AKMT2ASMN1; SMN2L3MBTL1HTR1A
Hydrochloric Acid SCHEMBL3822406 0.84 RAB9A (0.52) RAB9AKMT2ASMN1; SMN2L3MBTL1HTR1A
SCHEMBL3823150 0.84 ME2 (0.42) RAB9AKDM4ESMN1; SMN2L3MBTL1HTR1A
SCHEMBL8179037 0.83 L3MBTL1 (0.54) RAB9AMAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL8177578 0.82 OPRM1 (0.45) RAB9AKDM4ESMN1; SMN2L3MBTL1HTR1A
SCHEMBL3830607 0.82 TACR3 (0.46) RAB9AHTR1ADRD2DRD4HTR2A
SCHEMBL3826502 0.81 RAB9A (0.45) RAB9AKMT2AHTR1ADRD2DRD4
SCHEMBL3842981 0.81 SMN1; SMN2 (0.48) RAB9AMAPTKDM4ESMN1; SMN2L3MBTL1

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-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed