SCHEMBL3143811

SCHEMBL3143811

CC(=O)O[C@H]1C(N(C)C(=O)c2ccccc2)CC[C@]2(C)C3CC[C@@]4(C)C(CC(O)[C@@H]4C(C)N(C)C)[C@@H]3CCC12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.55
EBP Q15125 5/20 0.49
DHCR7 Q9UBM7 5/20 0.49
ACHE P22303 11/20 0.45
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL3151991 0.83 BCHE (0.54) BCHEEBPDHCR7ACHE
SCHEMBL3650423 0.63 CYP19A1 (0.52) BCHEACHE
SCHEMBL3650419 0.63 CYP19A1 (0.52) BCHEACHE
SCHEMBL14122800 0.59 GRIN1 (0.54) BCHEEBPDHCR7ACHE
Terminaline SCHEMBL29351441 0.58 ACHE (0.58) BCHEEBPDHCR7ACHE
SCHEMBL20724820 0.58 VDR (0.65)
SCHEMBL12202975 0.58 HRH3 (0.64) BCHEACHE
SCHEMBL26499575 0.58 ACHE (0.49) BCHEEBPDHCR7ACHESRD5A1
SCHEMBL26499565 0.58 ACHE (0.49) BCHEEBPDHCR7ACHESRD5A1
SCHEMBL12370186 0.57 CYP3A4 (0.54)

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
EP-2151846-B1 High temperature thermal cutoff device THERM O DISC INC (US) 2013-10-09 EP disclosed
EP-2151846-A2 High temperature thermal cutoff device Therm-O-Disc Incorporated (US) 2010-02-10 EP disclosed