SCHEMBL631454

SCHEMBL631454

CN(C)CCOc1ccc(C[C@H](NC(=O)O[C@H]2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.45
UTS2R Q9UKP6 2/20 0.41
KCNQ1 P51787 1/20 0.40
YAP1 P46937 2/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL630049 0.90 KCNQ1 (0.47) BDKRB1UTS2RKCNQ1YAP1
SCHEMBL1382749 0.90 KCNQ1 (0.47) BDKRB1UTS2RKCNQ1YAP1
SCHEMBL629860 0.88 BDKRB1 (0.41) BDKRB1KCNQ1YAP1NPSR1
SCHEMBL631050 0.85 KCNQ1 (0.47) BDKRB1KCNQ1GAA
SCHEMBL631253 0.84 BDKRB1 (0.42) BDKRB1KCNQ1
SCHEMBL631034 0.81 KCNQ1 (0.44) BDKRB1KCNQ1SMN1; SMN2
SCHEMBL630823 0.80 KCNQ1 (0.49) BDKRB1KCNQ1LMNAGAANPSR1
SCHEMBL631193 0.80 MEN1 (0.47) BDKRB1KCNQ1SMN1; SMN2
SCHEMBL630680 0.80 KCNQ1 (0.48) BDKRB1KCNQ1GAA
SCHEMBL630671 0.80 POLB (0.46) BDKRB1KCNQ1LMNAGAASMN1; SMN2

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-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed