SCHEMBL7361096

SCHEMBL7361096

[CH2]c1ccc(C(=N)NCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NAAA Q02083 2/20 0.37
HCAR3 P49019 2/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HPGD P15428 2/20 0.36
MLYCD O95822 1/20 0.36
EPHX2 P34913 1/20 0.35
HDAC3 O15379 3/20 0.35
LMNA P02545 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL17469801 0.82 LMNA (0.44) SMN1; SMN2TSHRHTTL3MBTL1HDAC1
SCHEMBL649985 0.81 NAAA (0.54) SMN1; SMN2TSHRHTTNAAAHDAC1
SCHEMBL15846350 0.81 TAS1R3 (0.43) SMN1; SMN2TSHRHTTL3MBTL1NAAA
SCHEMBL26485348 0.79 HDAC1 (0.43) SMN1; SMN2TSHRHTTL3MBTL1HDAC1
SCHEMBL95136 0.79 L3MBTL1 (0.63) SMN1; SMN2TSHRHTTL3MBTL1NAAA
SCHEMBL7450887 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTTL3MBTL1NAAA
SCHEMBL8791205 0.78 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHTTL3MBTL1NAAA
Hydrochloric Acid SCHEMBL11725735 0.78 PRSS1 (0.49) TSHR
SCHEMBL24386523 0.77 HDAC3 (0.47) L3MBTL1NAAAHDAC1HDAC2HPGD
SCHEMBL13094265 0.77 MAPT (0.56) TSHRHPGDHDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091945-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2000000481-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed