SCHEMBL27807275

SCHEMBL27807275

N#CCN(OC(F)(F)F)c1ccccc1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
PTPN1 P18031 2/20 0.35
MAOB P27338 1/20 0.33
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30

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
SCHEMBL4138448 0.76 POLQ (0.36) MAOBALDH1A1MEN1KMT2A
SCHEMBL10659836 0.66 BCL2 (0.52) PTPN1DRD2DRD1DRD4DRD5
Water SCHEMBL11327197 0.65 PTPN1 (0.46) SLC6A4PTPN1DRD2DRD1DRD4
SCHEMBL27785349 0.64 ALDH1A1 (0.47) MAOBALDH1A1SMN1; SMN2
SCHEMBL14135416 0.63 PTPN1 (0.45) SLC6A4PTPN1DRD2DRD1DRD4
SCHEMBL27629423 0.63 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL3165408 0.63 PTPN1 (0.47) SLC6A4PTPN1DRD2DRD1DRD4
SCHEMBL29878136 0.63 PTPN1 (0.47) SLC6A4PTPN1DRD2DRD1DRD4
SCHEMBL31596156 0.63 HTR2A (0.50) SLC6A4HTR2AALDH1A1MEN1MAPT
SCHEMBL3636993 0.63 HTR2A (0.50) SLC6A4HTR2AALDH1A1MEN1MAPT

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
CN-101759598-B Tetracycline compounds with aminoalkylamidines SHANDONG XUANZHU MEDICAL TECHNOLOGY CO LTD 2011-11-09 CN disclosed
CN-101759598-A Tetracycline compounds with aminoalkylamidines SHANDONG XUANZHU PHARM TECH CO 2010-06-30 CN disclosed