SCHEMBL6962241

SCHEMBL6962241

Cn1cc(-c2ccc3c(c2)c(C2=CCNCC2)cn3-c2ccc(F)cc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
HTR1A P08908 2/20 0.49
HTR1B P28222 2/20 0.49
HTR2C P28335 1/20 0.49
HRH1 P35367 1/20 0.49
HTR6 P50406 8/20 0.48
KHK P50053 1/20 0.44
KCNH2 Q12809 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
SCHEMBL6954562 0.85 DRD2 (0.56) DRD2HTR1AHTR1BHTR2CHRH1
SCHEMBL6962346 0.84 HTR1A (0.50) DRD2HTR1AHTR1BHTR6KHK
SCHEMBL9462735 0.82 HTR6 (0.68) HTR1AHTR2CHTR6KHKKCNH2
SCHEMBL6960840 0.81 HTR1A (0.51) DRD2HTR1AHTR1BHTR6KHK
SCHEMBL6967386 0.78 KCNH2 (0.71) DRD2HTR1AHTR1BHTR2CHRH1
Hydrochloric Acid SCHEMBL27751697 0.78 HTR6 (0.61) DRD2HTR1AHTR6KCNH2
SCHEMBL6580736 0.78 HTR6 (0.61) DRD2HTR1AHTR6KCNH2
SCHEMBL6955047 0.78 DRD2 (0.52) DRD2HTR1AHTR6KHKKCNH2
SCHEMBL9462566 0.77 HTR6 (0.56) HTR1AHTR2CHTR6KCNH2
SCHEMBL6955312 0.77 HTR6 (0.48) DRD2HTR1AHTR1BHTR6KHK

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
US-6602889-B1 5-heteroaryl substituted indoles H. LUNDBECK A.S. (DK) 2003-08-05 US disclosed
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP disclosed