SCHEMBL8312339

SCHEMBL8312339

CC1(Cc2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
ELANE P08246 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TP53 P04637 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM1A O60341 3/20 0.37
GAA P10253 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
SCHEMBL3558960 0.85 SLC6A2 (0.39) MAOAMAOBELANECRHBPCRHR2
SCHEMBL3558958 0.85 SLC6A2 (0.39) MAOAMAOBELANECRHBPCRHR2
SCHEMBL14828724 0.78 MAOA (0.42) MAOAMAOBELANEOPRM1OPRK1
SCHEMBL28161193 0.71 MAOA (0.48) MAOAMAOBELANETP53OPRM1
SCHEMBL2374703 0.71 MAOA (0.54) MAOAMAOBELANETP53OPRM1
SCHEMBL14002175 0.71 MAOA (0.43) MAOAMAOBELANECRHBPCRHR2
SCHEMBL10153097 0.70 ELANE (0.39) MAOAMAOBELANEGAA
SCHEMBL6204679 0.70 GAA (0.38) MAOAMAOBTP53KDM1AGAA
SCHEMBL13645874 0.70 MGLL (0.39) MAOAMAOBELANEGAA
SCHEMBL11369040 0.70 OPRL1 (0.45) MAOAMAOBELANECRHBPCRHR2

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
CN-118291553-A Biosynthesis method of starch 中国科学院天津工业生物技术研究所 2024-07-05 CN claimed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed