SCHEMBL8799708

SCHEMBL8799708

OC12CC3CC(C1)C(CCN1CC4CCC(CC4)C1)C(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HSD11B1 P28845 8/20 0.36
DPP4 P27487 1/20 0.31
HSD11B2 P80365 2/20 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
SCHEMBL8799991 0.82 SIGMAR1 (0.38) SIGMAR1
SCHEMBL8799392 0.77 SIGMAR1 (0.37) SIGMAR1HSD11B1
SCHEMBL467301 0.77 SIGMAR1 (0.50) SIGMAR1HSD11B1
SCHEMBL8800045 0.75 SIGMAR1 (0.36) SIGMAR1
SCHEMBL8908831 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1
SCHEMBL8099379 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1
SCHEMBL8910528 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1
SCHEMBL8908605 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1
SCHEMBL8090048 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1
SCHEMBL8909565 0.75 SIGMAR1 (0.73) SIGMAR1HSD11B1

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