SCHEMBL8096422

SCHEMBL8096422

COC1CC[N]C(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36
DPP4 P27487 1/20 0.35
MAOB P27338 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL8111450 0.83 SLC6A4 (0.41) NOS3NOS1NOS2TAAR1
SCHEMBL8393622 0.77 SLC6A4 (0.41)
SCHEMBL2096002 0.77 NOS3 (0.46) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL8091958 0.76 NOS3 (0.41) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL8109498 0.76 NOS3 (0.41) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL1830037 0.75 NOS3 (0.50) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL8395888 0.73 CHRNA7 (0.41) MAOB
SCHEMBL52608 0.71 NOS3 (0.54) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL5654987 0.71 NOS3 (0.54) NOS3NOS1NOS2TAAR1GBA1
SCHEMBL8086082 0.70 TACR1 (0.45)

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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed