SCHEMBL11228448

SCHEMBL11228448

ClC(CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL9733498 0.81 TSHR (0.40) HDAC3HDAC1HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL5300345 0.81 CARM1 (0.51) TSHRALDH1A1HTR2AHRH1SIGMAR1
SCHEMBL8983567 0.78 RIPK1 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL14356718 0.78 RIPK1 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11237204 0.78 RIPK1 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL4974601 0.75 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11795941 0.75 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL4081568 0.75 HTT (0.55) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL22042229 0.75 TSHR (0.55) TSHRHTR2AHRH1
SCHEMBL13995266 0.75 OPRK1 (0.53) DPP7TSHRALDH1A1HTR2ACNR2

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-4313896-A ANTIDEPRESSANTS, PSYCHOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1982-02-02 US disclosed