SCHEMBL7865950

SCHEMBL7865950

Cc1cc(C2C[C@H]2N)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
HTR2B P41595 1/20 0.63
KDM1A O60341 19/20 0.58
KDM1B Q8NB78 4/20 0.58
KCNH2 Q12809 2/20 0.58
MAOA P21397 2/20 0.46

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
SCHEMBL7092720 1.00 HTR2A (0.63) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL7092719 1.00 HTR2A (0.63) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL14900233 0.85 KDM1A (0.62) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL16802361 0.85 KDM1A (0.62) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL6997477 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL3609223 0.82 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL12971950 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL15011508 0.82 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL15286633 0.82 KDM1A (0.69) HTR2AHTR2CHTR2BKDM1AKDM1B
SCHEMBL6997479 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BKDM1AKDM1B

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
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed