SCHEMBL11071870

SCHEMBL11071870

CC(=O)C1(COC(=O)NC(C)C)CC=CCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11078195 0.88 HRH3 (0.34)
SCHEMBL11263936 0.86 TSHR (0.32) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL11105550 0.86 HRH3 (0.37)
SCHEMBL11075879 0.86
SCHEMBL11097319 0.82 ALDH1A1 (0.42)
SCHEMBL11069006 0.80 EPHX1 (0.36) TSHR
SCHEMBL11076596 0.80 KMT2A (0.45)
SCHEMBL11080332 0.79 MME (0.37) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL11257066 0.78 MEN1 (0.33)
SCHEMBL11262679 0.78 CYP2D6 (0.34) RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026369-B1 CARBAMATES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-08-08 EP disclosed
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