SCHEMBL20825131

SCHEMBL20825131

CC(=O)NCC1=CC=NCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MTNR1A P48039 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SETDB1 Q15047 3/20 0.32
▸ MTNR1B P49286 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ VHL P40337 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ GRIA2 P42262 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
SCHEMBL24495630 0.71 NPSR1 (0.38) NPSR1KMT2AHDAC1HDAC6NOTUM
SCHEMBL13369575 0.71 NPSR1 (0.38) NPSR1KMT2AHDAC1HDAC6NOTUM
SCHEMBL13594207 0.70 NPSR1 (0.37) NPSR1KMT2AHDAC1HDAC6MTNR1A
SCHEMBL13465562 0.67 NPSR1 (0.40) NPSR1KMT2AHDAC1HDAC6MTNR1A
SCHEMBL8136808 0.65 DRD2 (0.43) HDAC6MTNR1A
SCHEMBL12045440 0.62 MTNR1A (0.38) NPSR1KMT2AHDAC1HDAC6MTNR1A
SCHEMBL13089099 0.61 AURKA (0.41) NPSR1KMT2AHDAC1HDAC6NOTUM
SCHEMBL11210850 0.60 KMT2A (0.57) NPSR1KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL12133623 0.60 KMT2A (0.76) NPSR1KMT2AHDAC1HDAC6ALDH1A1
SCHEMBL7625144 0.59 KMT2A (0.42) NPSR1KMT2AHDAC1HDAC6MTNR1A

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-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 — — EP disclosed
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