SCHEMBL7401099

SCHEMBL7401099

NN(C(=O)O)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL28128832 0.77 L3MBTL1 (0.33) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL3071621 0.76 HSD11B1 (0.43) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
SCHEMBL11161845 0.74 KMT2A (0.43) L3MBTL1HSD17B10EPHX2TSHRMAPT
SCHEMBL8921375 0.66 EPHX2 (0.44) HSD11B1L3MBTL1HSD17B10EPHX2
SCHEMBL11150889 0.65 CYP2C9 (0.35) CYP2C9L3MBTL1EPHX2CA1CA2
SCHEMBL15142125 0.65 HSD11B1 (0.47) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
Adamantane SCHEMBL28164719 0.65 ACHE (0.54) HSD11B1CYP2C9TSHR
Adamantane SCHEMBL935449 0.64 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
Adamantane SCHEMBL974954 0.64 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2
Adamantane SCHEMBL3981833 0.64 HSD11B1 (0.48) HSD11B1CYP2C9L3MBTL1HSD17B10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517913-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.r.l. (IT) 1992-12-16 EP disclosed
WO-1992012170-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-23 WO disclosed
US-4567162-A ANIMAL GROWTH PROMOTERS FARMITALIA CARLO ERBA (IT) 1986-01-28 US disclosed
US-4491541-A Peptides FARMITALIA CARLO ERBA 1985-01-01 US disclosed
US-4474765-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1984-10-02 US disclosed
US-4350627-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1982-09-21 US disclosed