SCHEMBL29640496

SCHEMBL29640496

Cc1cc(F)ccc1CN1CCC(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn23)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.58
KMT2A Q03164 4/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL29640454 0.93 RXFP1 (0.57) RXFP1KMT2AMEN1POLBGAA
Hydrochloric Acid SCHEMBL29640444 0.89 RXFP1 (0.54) RXFP1KMT2APOLBGAA
SCHEMBL29640458 0.87 RXFP1 (0.57) RXFP1KMT2AMEN1POLBGAA
SCHEMBL29712032 0.86 RXFP1 (0.54) RXFP1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL29640449 0.85 RXFP1 (0.54) RXFP1KMT2AMEN1GAA
SCHEMBL29640436 0.84 RXFP1 (0.62) RXFP1KMT2AMEN1POLB
SCHEMBL29640502 0.84 KMT2A (0.59) RXFP1KMT2APOLBGAA
SCHEMBL29640209 0.83 RXFP1 (0.56) RXFP1KMT2APOLB
SCHEMBL29640473 0.83 RXFP1 (0.53) RXFP1KMT2APOLB
SCHEMBL29640470 0.83 RXFP1 (0.53) RXFP1KMT2APOLB

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