SCHEMBL28037017

SCHEMBL28037017

COc1ccc(C2CC2N)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.56
KDM1B Q8NB78 6/20 0.56
KCNH2 Q12809 2/20 0.56
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
MAOA P21397 1/20 0.47
ADRA1A P35348 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
SCHEMBL6906698 0.84 KDM1A (0.56) KDM1AKDM1BHTR2AHTR2CHTR2B
SCHEMBL6319144 0.77 KDM1A (0.36) KDM1AKDM1BKCNH2HTR2AHTR2C
SCHEMBL19452862 0.76 CCNT1 (0.42) KDM1AHTR2CMAOAADRA1A
SCHEMBL12994249 0.76 HTR2C (0.41) KDM1AHTR2CADRA1A
SCHEMBL8884797 0.75 KDM1A (0.66) KDM1AKDM1BKCNH2HTR2CHTR2B
SCHEMBL6327503 0.73 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2B
SCHEMBL15682035 0.73 CA2 (0.47) ADRA1A
SCHEMBL6320155 0.72 ITGB3 (0.49) HTR2AHTR2CHTR2B
SCHEMBL19452846 0.72 CCNT1 (0.40) KDM1AHTR2CADRA1A
SCHEMBL13821364 0.72 PDE5A (0.33) KDM1AHTR2AHTR2CHTR2BADRA1A

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
CN-105121429-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-12-02 CN disclosed