SCHEMBL29711985

SCHEMBL29711985

CN1CCN(c2ccc3nnc(CCC(=O)N[C@H]4CCN(C(=O)O)C[C@H]4F)n3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.55
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29712048 0.90 RXFP1 (0.53) RXFP1KMT2APOLBMEN1TDP1
SCHEMBL29712010 0.90 RXFP1 (0.53) RXFP1KMT2APOLBMEN1TDP1
SCHEMBL29640468 0.90 RXFP1 (0.53) RXFP1KMT2APOLBMEN1TDP1
SCHEMBL30104709 0.90 RXFP1 (0.53) RXFP1KMT2APOLBMEN1TDP1
SCHEMBL29640463 0.86 RXFP1 (0.52) RXFP1KMT2APOLBTDP1
SCHEMBL29640492 0.86 RXFP1 (0.52) RXFP1KMT2APOLBTDP1
SCHEMBL29711976 0.86 RXFP1 (0.59) RXFP1KMT2APOLBTDP1
SCHEMBL29640508 0.82 RXFP1 (0.51) RXFP1KMT2APOLBTDP1
SCHEMBL29640443 0.82 RXFP1 (0.51) RXFP1KMT2APOLBTDP1
SCHEMBL29640436 0.81 RXFP1 (0.62) RXFP1KMT2APOLBMEN1TDP1

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
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 EP disclosed