SCHEMBL6961820

SCHEMBL6961820

N=C(Nc1ccc(CCN)cc1)c1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR3A P46098 1/20 0.37
BACE1 P56817 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 2/20 0.35
CYP2A6 P11509 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL6961976 0.77 TRPV1 (0.55) KDM1AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13911596 0.72 TAAR1 (0.48) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL6966631 0.72 RAB9A (0.43) TAAR1ALDH1A1KMT2AHTR2ACYP2A6
SCHEMBL8195293 0.71 CNR1 (0.54) ALDH1A1SLC6A2KMT2ASMN1; SMN2LMNA
SCHEMBL5378881 0.71 MEN1 (0.47) KDM4EALDH1A1KMT2ATDP1SMN1; SMN2
Bromide SCHEMBL7202745 0.69 NOS3 (0.46) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL6961826 0.69 NOS1 (0.54) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL27447144 0.68 TAAR1 (0.46) TAAR1KDM4EALDH1A1HTR1AADRA2A
Oxalic Acid SCHEMBL27373636 0.67 RAB9A (0.47) ALDH1A1L3MBTL1KMT2ASMN1; SMN2LMNA
Bromide SCHEMBL6966430 0.67 TAAR1 (0.45) TAAR1KDM4EALDH1A1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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