SCHEMBL23601588

SCHEMBL23601588

Cc1ccc(CC2(N)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
AGXT P21549 2/20 0.41
IDO1 P14902 3/20 0.41
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL12038285 0.90 MAOA (0.50) MAOAMAOBCYP1A2CYP2A6TAAR1
SCHEMBL13510883 0.85 MAOA (0.46) MAOAMAOBTP53MAPTHRH3
SCHEMBL28551933 0.85 MAOB (0.46) MAOAMAOBCYP1A2CYP2A6TAAR1
SCHEMBL1823450 0.79 MAOB (0.64) MAOAMAOBTDP1MAPTALDH1A1
SCHEMBL5644096 0.77 MAOA (0.61) MAOAMAOBIDO1
SCHEMBL5349239 0.77 MAOB (0.61) MAOAMAOBTAAR1AGXTIDO1
SCHEMBL1821778 0.77 MAOA (0.50) MAOAMAOBALDH1A1
SCHEMBL1823270 0.77 MAOA (0.61) MAOAMAOBTAAR1AGXTIDO1
SCHEMBL16041470 0.77 MAOA (0.61) MAOAMAOBCYP2A6TAAR1IDO1
SCHEMBL1821734 0.77 MAOA (0.61) MAOAMAOBTAAR1IDO1TDP1

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed