SCHEMBL7078436

SCHEMBL7078436

Nc1ccc(CCNC(=O)N2CCOCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ TAAR1 Q96RJ0 1/20 0.53
▸ TPSAB1 Q15661 2/20 0.50
▸ TPSD1 Q9BZJ3 1/20 0.50
▸ TPSG1 Q9NRR2 1/20 0.50
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ CD274 Q9NZQ7 1/20 0.46
▸ FKBP1A P62942 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
Hydrochloric Acid SCHEMBL7079778 0.99 KMT2A (0.73) KMT2ASMN1; SMN2MEN1TAAR1TPSAB1
SCHEMBL28218804 0.85 MEN1 (0.74) KMT2ASMN1; SMN2MEN1TAAR1TPSAB1
SCHEMBL1313894 0.83 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2MEN1TAAR1TPSAB1
SCHEMBL29104598 0.81 KMT2A (0.67) KMT2ASMN1; SMN2MEN1TAAR1TPSAB1
SCHEMBL8393420 0.79 MEN1 (0.61) KMT2ASMN1; SMN2MEN1TAAR1TPSAB1
SCHEMBL8391980 0.78 FKBP1A (0.72) KMT2ATAAR1FKBP1AALDH1A1TSHR
SCHEMBL8393415 0.77 KMT2A (0.62) KMT2ASMN1; SMN2MEN1TAAR1ALDH1A1
SCHEMBL17117357 0.77 NAMPT (0.66) KMT2ASMN1; SMN2MEN1TPSAB1HTT
SCHEMBL17117352 0.77 CA1 (0.58) KMT2ASMN1; SMN2MEN1TPSAB1HTT
SCHEMBL17117403 0.76 NAMPT (0.67) KMT2ASMN1; SMN2MEN1TPSAB1HTT

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
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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 — — EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 — — WO disclosed
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