SCHEMBL6968037

SCHEMBL6968037

N=C(Nc1ccc(CCCN2CCCCC2)cc1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LTA4H P09960 1/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH1 P35367 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.42
GFER P55789 1/20 0.42
FAAH O00519 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
OPRK1 P41145 1/20 0.41
SCN5A Q14524 1/20 0.40

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
SCHEMBL6955084 0.99 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ALTA4H
SCHEMBL8180687 0.93 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTSIGMAR1
Hydrochloric Acid SCHEMBL6962238 0.92 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9039113 0.92 MEN1 (0.48) MEN1KMT2AMAPTSIGMAR1NPC1
Hydrochloric Acid SCHEMBL9221658 0.91 MEN1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
Bromide SCHEMBL6967598 0.91 MEN1 (0.47) MEN1KMT2AMAPTSIGMAR1NPC1
SCHEMBL6968869 0.86 DRD2 (0.47) ALDH1A1KDM4EMEN1KMT2ALTA4H
SCHEMBL9039593 0.85 SMN1; SMN2 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
Bromide SCHEMBL6961358 0.84 SMN1; SMN2 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9212469 0.84 SMN1; SMN2 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT

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