SCHEMBL7328714

SCHEMBL7328714

NCC1(C(=O)Nc2ncccc2O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
RAB9A P51151 10/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MME P08473 1/20 0.46
NR0B1 P51843 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 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
SCHEMBL16568945 0.76 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10209096 0.72 SLC6A2 (0.49) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL7322864 0.71 SMARCA2 (0.46) MEN1KMT2AMMELMNA
SCHEMBL1652624 0.69 NPC1 (0.61) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL5631579 0.68 NPC1 (0.55) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL4449131 0.68 NPC1 (0.56) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL6361946 0.67 RAB9A (0.58) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL16321284 0.67 RAB9A (0.58) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL7929910 0.67 RAB9A (0.58) NPC1RAB9AMEN1KMT2ANR0B1
SCHEMBL3494324 0.67 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AMME

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-0370498-A2 Trans-4-amino(alkyl)-1-pyridylcarbamoylcyclohexane compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-05-30 EP disclosed