SCHEMBL27977413

SCHEMBL27977413

O=CC1NCCc2cc(Cl)c(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR2B P41595 8/20 0.47
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.40
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
DRD3 P35462 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27919511 0.84 HTR2C (0.36) HTR2AHTR2CHTR2BDRD2DRD1
SCHEMBL27919507 0.80 HTR2C (0.50) HTR2AHTR2CHTR2BKDM1A
SCHEMBL27343433 0.80 HTR2C (0.49) HTR2AHTR2CHTR2BKDM1A
SCHEMBL27818616 0.77 CA1 (0.50) DRD2KDM1AMAOAKDM4ECYP2C9
SCHEMBL27901805 0.76 MAOA (0.62) MAOATSHRHSD17B10
SCHEMBL28323938 0.74 ADRB2 (0.36) HTR2AHTR2CHTR2BDRD2KDM1A
SCHEMBL17732723 0.73 KDM1A (0.43) DRD2KDM1AMAOAKDM4ECYP2C9
SCHEMBL27797398 0.73 KDM4C (0.41) HTR2AHTR2CKDM1A
SCHEMBL17732769 0.73 KDM1A (0.43) DRD2KDM1AMAOAKDM4ECYP2C9
SCHEMBL27919637 0.73 TBXA2R (0.37) HTR2AHTR2CHTR2BDRD1KDM4E

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-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN disclosed