SCHEMBL8400924

SCHEMBL8400924

CC(C)c1ccccc1N(C(=N)N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
PNMT P11086 1/20 0.36
EPHX1 P07099 3/20 0.36
CETP P11597 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
CES2 O00748 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN5 P54829 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
ADRB1 P08588 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL3389830 0.81 HTR3E (0.46) PNMTCETPALDH1A1HTR3EHTR3B
SCHEMBL8397401 0.79 SIGMAR1 (0.54) SIGMAR1CYP2D6TSHR
SCHEMBL8335346 0.79 PRSS1 (0.42) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9627587 0.78 SIGMAR1 (0.42) HTR2CHTR2BSIGMAR1SLC6A2TSHR
SCHEMBL8332599 0.76 CETP (0.47) CETPALDH1A1HTR3EHTR3BHTR3A
SCHEMBL9626664 0.72 SIGMAR1 (0.54) ALDH1A1SIGMAR1
SCHEMBL8397630 0.71 SIGMAR1 (0.50) HTR2CHTR2AHTR2BCETPSIGMAR1
SCHEMBL8398385 0.70 SIGMAR1 (0.42) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8334067 0.70 SIGMAR1 (0.37) HTR2CHTR2BSIGMAR1SLC6A2TSHR
SCHEMBL5606524 0.69 CES2 (0.50) EPHX1CETPALDH1A1HTR3EHTR3B

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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed