SCHEMBL11255965

SCHEMBL11255965

CC(=O)C1(COC(=O)NC(C)C2CCCC2)CC2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
MAPK1 P28482 2/20 0.31
EPHX2 P34913 2/20 0.31
P2RX7 Q99572 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL11099867 0.98 HRH3 (0.38) HRH3CA12CA1CA2MMP2
SCHEMBL11247837 0.95 HRH3 (0.39) HRH3EPHX2
SCHEMBL11077970 0.95 HRH3 (0.39) HRH3EPHX2
SCHEMBL11248231 0.88 ALDH1A1 (0.31)
SCHEMBL11259982 0.88 ALDH1A1 (0.31)
SCHEMBL11071794 0.88 ALDH1A1 (0.31)
SCHEMBL11109218 0.85
SCHEMBL11251126 0.84 HRH3 (0.38) HRH3
SCHEMBL11265898 0.84
SCHEMBL11255902 0.84 EPHX1 (0.41)

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-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0026369-A2 Carbamates, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-04-08 EP disclosed