SCHEMBL4950871

SCHEMBL4950871

CC(CCN)c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
F2RL1 P55085 8/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
FPR2 P25090 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL9659674 0.89 ADRA2A (0.36) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
SCHEMBL1696874 0.84
SCHEMBL8540931 0.82 FPR2 (0.42) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
Bromide SCHEMBL29172260 0.81 FPR2 (0.41) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
Hydrochloric Acid SCHEMBL29012442 0.81 FPR2 (0.41) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
SCHEMBL14719303 0.81 TXN (0.39) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
SCHEMBL31149401 0.81 ADRA2A (0.37) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
Bromide SCHEMBL28096064 0.80 F2RL1 (0.35) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
Hydrochloric Acid SCHEMBL31149402 0.79 ADRA2A (0.40) ADRA2AADRA2BADRA2CF2RL1ALDH1A1
SCHEMBL11627014 0.79 CYP1A2 (0.42) ADRA2AADRA2BADRA2CF2RL1ALDH1A1

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
CN-106018519-B The application of complex film modified electrode of ion liquid functionalization and preparation method thereof and detection chlorophenol 青岛科技大学 2019-04-05 CN claimed
US-20080217617-A1 Thin Film Transistor, Wiring Board and Methods of Manufacturing the Same ZEON CORPORATION (JP) 2008-09-11 US disclosed
US-5081131-A Omega-((hetero)alkyl)benz(cd)-indol-2-amines AMERICAN CYANAMID COMPANY (US) 1992-01-14 US disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed
US-4619941-A N-[(1H-imidazol-1-yl)alkyl]-1H-indolecarboxamides useful as thromboxane synthetase inhibitors and antihypertensive agents AMERICAN CYANAMID COMPANY (US) 1986-10-28 US disclosed