SCHEMBL6861955

SCHEMBL6861955

N#Cc1cccc(CN2CCN(c3ccccc3Cl)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.60
DRD4 P21917 6/20 0.60
DRD3 P35462 6/20 0.60
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.54
RAB9A P51151 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
HTR1A P08908 1/20 0.53
FAAH O00519 1/20 0.53
HTR7 P34969 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL8168478 0.85 DRD2 (0.57) DRD2DRD4DRD3HTR1AFAAH
SCHEMBL20804353 0.84 FAAH (0.63) DRD2DRD4DRD3HTR1AFAAH
SCHEMBL28024099 0.84 FAAH (0.63) DRD2DRD4DRD3HTR1AFAAH
SCHEMBL7424054 0.83 DRD4 (0.69) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL6863340 0.82 DRD4 (0.64) DRD2DRD4DRD3HTR1AFAAH
SCHEMBL6864941 0.81 DRD4 (0.81) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL8758391 0.80 HTR1A (0.60) DRD2DRD3HTR1A
SCHEMBL6427438 0.80 DRD2 (0.64) DRD2DRD4DRD3HTR1A
SCHEMBL15937917 0.80 DRD2 (0.69) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL6865213 0.80 ALDH1A1 (0.67) DRD2DRD4DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
EP-0628558-B1 Process for the synthesis of 9(2-hydroxyethoxy methyl) guanine SOLAR CHEM SA (LU) 1998-04-15 EP claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed