SCHEMBL19174080

SCHEMBL19174080

O=C(N1CCCCN(Cc2ccccc2)CC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 17/20 0.80
▸ ALDH1A1 P00352 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67

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
SCHEMBL19173738 0.98 HSD11B1 (0.80) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19150618 0.96 HSD11B1 (0.86) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173935 0.89 HSD11B1 (1.00) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173313 0.89 HSD11B1 (0.82) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19248163 0.87 HSD11B1 (1.00) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173966 0.84 HSD11B1 (0.62) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173546 0.83 HSD11B1 (0.67) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173722 0.82 HSD11B1 (0.65) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19148532 0.81 HSD11B1 (0.64) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL19173683 0.81 HSD11B1 (0.64) HSD11B1ALDH1A1SMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 — — WO disclosed
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