SCHEMBL7481522

SCHEMBL7481522

C[C@@H]1OC(C)(C)c2cc(-n3cccc3C#N)ccc2N1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.31
LMNA P02545 1/20 0.30
GLA P06280 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
SCHEMBL78394 0.68 PGR (0.61) PGR
SCHEMBL79517 0.68 PGR (0.61) PGR
SCHEMBL4910089 0.66 PGR (0.47) PGR
SCHEMBL4913276 0.66 PGR (0.64) PGR
SCHEMBL7008778 0.63 LMNA (0.44) LMNAGLA
SCHEMBL9043604 0.62 PKM (0.47) LMNAGLA
SCHEMBL9041022 0.62 NPC1 (0.41) LMNAGLA
SCHEMBL9041935 0.59 LMNA (0.38) PGRLMNAGLA
SCHEMBL4584394 0.58 LMNA (0.45) LMNAGLA
SCHEMBL8222266 0.57 LMNA (0.39) PGRLMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498154-B1 CONTRACEPTION; PROGESTATIONAL ACTIVE LEVONORGESTREL AND AN ANTIPROGESTIN COMPOUND WYETH 2002-12-24 US disclosed