SCHEMBL4585919

SCHEMBL4585919

O=C(O)N(CCCc1ccc(Br)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
MC4R P32245 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4585915 1.00 IGF1R (0.44) IGF1RALDH1A1NPSR1CYP19A1NPC1
SCHEMBL4583973 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL4583968 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL6618598 0.83 MEN1 (0.48) ALDH1A1NPC1CRHBPCRHR2MC4R
SCHEMBL6618592 0.83 MEN1 (0.48) ALDH1A1NPC1CRHBPCRHR2MC4R
SCHEMBL1989446 0.83 ALDH1A1 (0.49) ALDH1A1NPC1CRHBPCRHR2MC4R
SCHEMBL1680543 0.80 ALDH1A1 (0.51) ALDH1A1NPC1CRHBPCRHR2MAPT
SCHEMBL4584829 0.78 MEN1 (0.48) ALDH1A1NPC1MEN1KMT2A
SCHEMBL4584835 0.78 MEN1 (0.48) ALDH1A1NPC1MEN1KMT2A
SCHEMBL19245780 0.75 CA12 (0.47) ALDH1A1CRHBPCRHR2MEN1KMT2A

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
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed