SCHEMBL8801573

SCHEMBL8801573

CC12CC3CC(C1)CC(CC(=O)N1CC4CCC(CC4)C1)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.46
HSD11B1 P28845 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GRM1 Q13255 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL8799134 0.82 BPTF (0.66) BPTFHSD11B1GRM1TSHREPHX1
SCHEMBL503339 0.76 POLB (0.64) GAALMNATSHRPOLB
SCHEMBL7588383 0.76 POLB (0.64) GAALMNATSHRPOLB
SCHEMBL10532442 0.76 GAA (0.51) GAATSHRPOLB
Hydrochloric Acid SCHEMBL10532450 0.74 POLB (0.62) GAALMNATSHRPOLB
SCHEMBL8544600 0.72 GAA (0.47) GAATSHRPOLB
SCHEMBL8799246 0.71 GRIN2D (0.38) HTTTSHR
SCHEMBL17067654 0.70 ALDH1A1 (0.47) GAATSHRPOLB
SCHEMBL19909619 0.70 BPTF (0.46) BPTFHSD11B1GAALMNAHTT
SCHEMBL26032569 0.69 BPTF (0.65) BPTFHSD11B1GRM1TSHREPHX1

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 2 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 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