SCHEMBL9865545

SCHEMBL9865545

ClCC1NCCc2[nH]c3ccccc3c21.OP(O)Cl.OP(O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR5A P47898 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR7 P34969 4/20 0.37
MAPKAPK2 P49137 1/20 0.36
GPX4 P36969 1/20 0.36
CHRM4 P08173 2/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL9865550 0.99 MEN1 (0.43) MEN1LMNAMAPTKMT2AGRIN2B
SCHEMBL30149565 0.75 HTR2A (0.51) GRIN2BHTR2AHTR2CSIGMAR1DRD2
SCHEMBL9206013 0.75 DRD1 (0.43) GRIN2BHTR2AHTR2CSIGMAR1DRD2
Hydrochloric Acid SCHEMBL30149473 0.74 HTR2A (0.53) GRIN2BHTR2AHTR2CSIGMAR1TAAR1
SCHEMBL9866845 0.74 DRD1 (0.42) LMNAKMT2AGRIN2BHTR2AHTR2C
SCHEMBL10924004 0.71 GRIN2B (0.70) GRIN2BHTR2AHTR2CDRD2HTR7
SCHEMBL14863014 0.70 MAPKAPK2 (0.62) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL31020939 0.68 HTR2A (0.44) GRIN2BHTR2AHTR2CKDM4EHTR5A
SCHEMBL5613534 0.67 HTR2A (0.46) HTR2AHTR2CNR2E1SIGMAR1TAAR1
SCHEMBL9866986 0.63 MAPT (0.39) MEN1LMNAMAPTKMT2AHTR2A

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-4999359-A Analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1991-03-12 US disclosed