SCHEMBL8920541

SCHEMBL8920541

Cc1cccc2scc(N3CC[N]CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.34
MAPT P10636 10/20 0.34
TP53 P04637 7/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8916889 0.82 SMN1; SMN2 (0.36) MAPTTP53LMNAALDH1A1THRB
SCHEMBL8917269 0.76 ADRB1 (0.34) ADRB1MAPTTP53LMNAALDH1A1
SCHEMBL1447600 0.72 ADRB1 (0.62) ADRB1MAPTLMNAALDH1A1THRB
SCHEMBL217611 0.71 ADRB1 (0.60) ADRB1LMNAALDH1A1RECQLKMT2A
SCHEMBL8991823 0.70 DRD2 (0.35) CTSGCMA1
SCHEMBL8918038 0.70 ADORA2A (0.37) ADRB1MAPTLMNAALDH1A1KMT2A
SCHEMBL8919052 0.70 MAPT (0.58) MAPTTP53LMNAALDH1A1RECQL
SCHEMBL8917044 0.70 MAPT (0.48) MAPTTP53LMNAALDH1A1RECQL
SCHEMBL1448499 0.69 KDM4E (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8404359 0.68 CTSG (0.37) MAPTALDH1A1CTSGCMA1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed