SCHEMBL8799392

SCHEMBL8799392

COC12CC3CC(C1)C(CCN1CC4CCC(CC4)C1)C(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HSD11B1 P28845 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
SCHEMBL8800045 0.86 SIGMAR1 (0.36) SIGMAR1
SCHEMBL8799991 0.78 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8097564 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8908980 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8909520 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8103579 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8909817 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8908862 0.78 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8799708 0.77 SIGMAR1 (0.37) SIGMAR1HSD11B1
SCHEMBL8089728 0.74 HSD11B1 (0.33) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US claimed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP claimed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed