SCHEMBL28045877

SCHEMBL28045877

O=C(NC[C@@H](O)Cc1ccccc1Cl)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX4 Q99571 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL28322144 0.94 HPGD (0.41) NPC1RAB9AALDH1A1HPGDPKM
SCHEMBL28045857 0.76 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL15067896 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL19254537 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28045844 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL28320994 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25214867 0.72 GLA (0.51) NPC1RAB9ASMN1; SMN2EPHX1HDAC3
SCHEMBL15067052 0.71 MEN1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11123663 0.70 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1FAAH
SCHEMBL27630590 0.68 HDAC3 (0.62) NPC1RAB9ASMN1; SMN2EPHX1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189450-A Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same BIO PHARM SOLUTIONS CO LTD 2015-12-23 CN claimed
CN-105189450-B Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same 比皮艾思药物研发有限公司 2019-09-13 CN disclosed
CN-105189450-A Phenyl carbamate compound and composition for preventing or treating mental disorder comprising the same BIO PHARM SOLUTIONS CO LTD 2015-12-23 CN disclosed