SCHEMBL12821714

SCHEMBL12821714

NC1CCC(N)(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.56
▸ MAOA P21397 7/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.41
▸ KDM1A O60341 7/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ IDO1 P14902 2/20 0.38
▸ AGXT P21549 2/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL28544407 0.79 MAOB (0.46) MAOBMAOATAAR1KDM1AIDO1
SCHEMBL28551933 0.79 MAOB (0.46) MAOBMAOATAAR1KDM1AOPRL1
SCHEMBL28219637 0.75 MAOA (0.42) MAOBMAOAOPRL1
SCHEMBL1318340 0.73 MAOA (1.00) MAOBMAOAKDM1AOPRL1
Biphenyl SCHEMBL27474545 0.73 ALDH1A1 (0.56) MAOBMAOATAAR1KDM1AOPRL1
Hydrochloric Acid SCHEMBL1318464 0.72 MAOA (0.95) MAOBMAOAKDM1AOPRL1
SCHEMBL23827531 0.71 MAOA (0.44) MAOBMAOAKDM1A
SCHEMBL28219677 0.71 MAOA (0.44) MAOBMAOATAAR1KDM1AIDO1
SCHEMBL6430626 0.71 AKT2 (0.46) MAOBMAOATAAR1KDM1AIDO1
SCHEMBL433971 0.70 MAOA (0.83) MAOBMAOAKDM1A

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
WO-2012135632-A2 METHODS OF TREATING A SUBJECT HAVING BEEN EXPOSED TO A CATASTROPHIC EVENT THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-10-04 — — WO claimed
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