SCHEMBL17805754

SCHEMBL17805754

CN1CCN(Oc2cc3c(c4ccccc24)[C@H](CBr)CN3C(=O)c2cc3c4c(ccc3[nH]2)NCC4)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.35
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
DRD2 P14416 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL13311138 0.90 HRH4 (0.37) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL17805755 0.88 HRH4 (0.35) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL13311142 0.84 KDR (0.43) MEN1KMT2ANPC1RXFP1MAPT
SCHEMBL13343605 0.83 HRH4 (0.37) HRH4POLBRAB9AHRH3
SCHEMBL10080014 0.76 HRH4 (0.36) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL6518352 0.76 KDR (0.55) MEN1KMT2AMAPTHTT
SCHEMBL13311133 0.76 HRH4 (0.36) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL14138287 0.73 HRH4 (0.42) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL13805703 0.73 HRH4 (0.33) HRH4POLBRAB9AMEN1KMT2A
SCHEMBL13311120 0.72 HRH4 (0.51) HRH4MEN1KMT2ANPC1RXFP1

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-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed