SCHEMBL8209221

SCHEMBL8209221

O=C(C=Cc1ccccc1C(F)(F)F)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 1/20 0.52
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 4/20 0.42
NFKB1 P19838 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CHRNA7 P36544 1/20 0.41
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
NPY2R P49146 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
CCNC P24863 1/20 0.36

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
Hydrochloric Acid SCHEMBL8211588 0.99 MAOB (0.51) MAOBMAOACNR1CNR2MAPT
SCHEMBL8221080 0.87 MAPT (0.54) MAOBMAOAMAPTNFKB1SMN1; SMN2
Hydrochloric Acid SCHEMBL8218987 0.86 MAPT (0.53) MAOBMAOAMAPTNFKB1SMN1; SMN2
SCHEMBL8201498 0.86 MAPT (0.48) CNR1CNR2MAPTNFKB1SMN1; SMN2
Hydrochloric Acid SCHEMBL8221068 0.85 MAPT (0.47) CNR1CNR2MAPTNFKB1SMN1; SMN2
SCHEMBL8218244 0.84 MAPT (0.45) CNR1CNR2MAPTNFKB1SMN1; SMN2
Hydrochloric Acid SCHEMBL8222018 0.84 MAPT (0.44) CNR1CNR2MAPTNFKB1SMN1; SMN2
SCHEMBL8201457 0.84 DRD2 (0.45) CNR1CNR2MAPTNFKB1SMN1; SMN2
SCHEMBL8221093 0.84 MAPT (0.44) CNR1CNR2MAPTNFKB1SMN1; SMN2
SCHEMBL8201867 0.84 MAPT (0.63) MAPTNFKB1SMN1; SMN2KDM4ENPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO claimed
US-6074048-A Ink jet recording head including interengaging piezoelectric and non-piezoelectric members and method of manufacturing same MINOLTA CO., LTD. (JP) 2000-06-13 US disclosed
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed
US-5874975-A Ink jet head MINOLTA CO., LTD. (JP) 1999-02-23 US disclosed
US-5763735-A RADIOACTIVE MATERIAL STORAGE FACILITY COMPRISING BUILDING HAVING PORTION UNDERGROUND, CIRCULATING FLUID FOR COOLING AND SHIELDING COMPRISING WATER AND METAL SALT HYDRATE PLUTONIUM STORAGE, INC. (US) 1998-06-09 US disclosed
US-5628906-A LIQUID-LIQUID THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 1997-05-13 US disclosed
US-4565635-A GUM, POLYMER, OR BIOGUM MATERIAL AND WATER DONOR MATERIAL MIXTURE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1986-01-21 US disclosed
US-4493754-A USING FERRITE ANODE AT&T BELL LABORATORIES (US) 1985-01-15 US disclosed
US-4045340-A REACTION WITH SODIUM CHROMATE LUIGI STOPPANI DI P STOPPANI & C. (IT) 1977-08-30 US disclosed
US-4033868-A ION EXCHANGING, FILTRATION LICENTIA PATENT-VERWALTUNGS-G.M.B.H. (DT) 1977-07-05 US disclosed
US-3984292-A ACTIVATOR SCHERING AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed