SCHEMBL6970011

SCHEMBL6970011

N=C(Nc1ccc(CCCC(=O)Nc2ccccc2)cc1)c1sccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM1A O60341 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51

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
SCHEMBL6970018 0.81 KDM1A (0.47) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7136565 0.81 SMN1; SMN2 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6962657 0.81 TRPV1 (0.55) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4627215 0.78 TRPV1 (0.52) TRPV1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5403706 0.77 TRPV1 (0.51) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6964158 0.76 MAPT (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8012743 0.75 TRPV1 (0.81) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8177963 0.74 TRPV1 (0.60) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6838859 0.74 KMT2A (0.52) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6961976 0.74 TRPV1 (0.55) TRPV1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed