SCHEMBL1863875

SCHEMBL1863875

CC(C)(C)N(CC1CCC(=O)CC1)C(=O)O.O=C(O)NCC1CCC(F)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.35
IL1B P01584 6/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL1863877 0.82
SCHEMBL1609577 0.82 RORC (0.33)
SCHEMBL562058 0.80 MEN1 (0.31)
SCHEMBL1863879 0.76 P2RX7 (0.35) P2RX7IL1BCYP2D6CHRM2CHRM1
SCHEMBL306555 0.74 CYP2D6 (0.50) P2RX7IL1BCYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL4278081 0.74 CHRM2 (0.35) CHRM2CHRM1CHRM3
SCHEMBL2696109 0.73 CYP2D6 (0.52) CYP2D6
SCHEMBL1700488 0.71 HSD11B1 (0.32)
SCHEMBL562471 0.71 HSD11B1 (0.32)
SCHEMBL561927 0.71 HSD11B1 (0.32)

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-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed