SCHEMBL8915744

SCHEMBL8915744

Cc1cccc2occ(C3CC[N]CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2C P28335 4/20 0.35
DRD1 P21728 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 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
SCHEMBL8916199 0.80 KMT2A (0.39) SMN1; SMN2
SCHEMBL7700928 0.76 DRD2 (0.55) DRD2SLC6A4CHRNB2CHRNA4SMN1; SMN2
SCHEMBL8917845 0.75 KCNA3 (0.36) DRD2SLC6A4HTR2CCHRNB2CHRNA4
SCHEMBL8917953 0.73 PSMB8 (0.40) DRD2SLC6A4
SCHEMBL5584733 0.73 HTR2C (0.62) SLC6A4HTR2C
SCHEMBL3208274 0.72 HTR2C (0.60) SLC6A4HTR2C
SCHEMBL8991823 0.71 DRD2 (0.35) DRD2SLC6A4HTR2C
SCHEMBL8917923 0.71 MAPT (0.39) DRD2SLC6A4SMN1; SMN2
SCHEMBL8920622 0.71 ALDH1A1 (0.39) DRD2SLC6A4SMN1; SMN2
SCHEMBL8918038 0.71 ADORA2A (0.37) ADORA2ACHRNB2CHRNA4SMN1; SMN2ELANE

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