SCHEMBL8939577

SCHEMBL8939577

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
TEAD1 P28347 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
FDFT1 P37268 2/20 0.38
MAOA P21397 1/20 0.38
KIF11 P52732 4/20 0.38
CHKA P35790 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL8939568 1.00 MAOB (0.48) MAOBTEAD1TAAR1FDFT1MAOA
SCHEMBL8939572 1.00 MAOB (0.48) MAOBTEAD1TAAR1FDFT1MAOA
SCHEMBL9227947 0.96 MAOB (0.51) MAOBTAAR1FDFT1MAOAKIF11
SCHEMBL9227953 0.96 MAOB (0.51) MAOBTAAR1FDFT1MAOAKIF11
SCHEMBL8370941 0.96 MAOB (0.51) MAOBTEAD1TAAR1MAOA
SCHEMBL4795942 0.96 MAOB (0.51) MAOBTEAD1TAAR1MAOA
SCHEMBL4795951 0.96 MAOB (0.51) MAOBTEAD1TAAR1MAOA
SCHEMBL8019187 0.86 MAOB (0.42) MAOBTEAD1TAAR1FDFT1MAOA
SCHEMBL8019185 0.86 MAOB (0.42) MAOBTEAD1TAAR1FDFT1MAOA
SCHEMBL9191043 0.86 HDAC1 (0.43) MAOBTEAD1TAAR1

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-5565140-A STABILITY, SOLUBILITY, HAVING POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-10-15 US disclosed
US-5308541-A Electrooptic displays; broad nematic range; high clear point; chemical stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-05-03 US disclosed