SCHEMBL8916901

SCHEMBL8916901

Cc1cc(C)c2occ(C3CC[N]CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
PSMB5 P28074 1/20 0.35
POLB P06746 1/20 0.30
PSMB8 P28062 2/20 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
SCHEMBL20809490 0.82 HTR2C (0.46) KCNA3PSMB5
Hydrochloric Acid SCHEMBL29688593 0.81 HTR2C (0.47) KCNA3
Hydrochloric Acid SCHEMBL20135301 0.81 HTR2C (0.47) KCNA3
SCHEMBL8917845 0.80 KCNA3 (0.36) KCNA3
SCHEMBL8916199 0.76 KMT2A (0.39) PSMB5POLB
SCHEMBL8920622 0.76 ALDH1A1 (0.39) PSMB8
SCHEMBL8917953 0.75 PSMB8 (0.40) PSMB8
SCHEMBL8917923 0.73 MAPT (0.39) POLBPSMB8
SCHEMBL8920208 0.71 PTPN1 (0.43) PSMB8
SCHEMBL5584576 0.69 PSMB5 (0.34) PSMB5

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