SCHEMBL29640209

SCHEMBL29640209

CN1CCN(c2ccc3nnc(CCC(=O)NC4CCN(Cc5ccccc5)CC4)n3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
POLB P06746 3/20 0.52
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL29712074 0.97 RXFP1 (0.53) RXFP1MAOAMAOBPOLBSIGMAR1
SCHEMBL29640447 0.95 RXFP1 (0.56) RXFP1MAOAMAOBPOLBSIGMAR1
SCHEMBL29640490 0.93 RXFP1 (0.56) RXFP1POLBSIGMAR1KMT2A
SCHEMBL29640470 0.92 RXFP1 (0.53) RXFP1MAOAMAOBPOLBSIGMAR1
SCHEMBL29640473 0.92 RXFP1 (0.53) RXFP1POLBSIGMAR1KMT2A
SCHEMBL28741971 0.92 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2DPP4
SCHEMBL29640457 0.92 RXFP1 (0.56) RXFP1MAOAMAOBPOLBSIGMAR1
SCHEMBL29640165 0.91 POLB (0.57) MAOAMAOBPOLBSIGMAR1KMT2A
SCHEMBL29640464 0.90 SIGMAR1 (0.50) RXFP1MAOAMAOBPOLBSIGMAR1
SCHEMBL22966092 0.90 POLB (0.50) RXFP1MAOAMAOBPOLBSIGMAR1

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-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN claimed
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed