SCHEMBL8108136

SCHEMBL8108136

[CH2]c1cccc(OCc2ncc[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTT P42858 3/20 0.36
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL3979574 0.81 SMN1; SMN2 (0.58) TAAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL8112160 0.80 TAAR1 (0.41) TAAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL11779657 0.80 TAAR1 (0.56) TAAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7509515 0.79 TAAR1 (0.45) TAAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL21981570 0.75 ABCB1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HTT
Hydrochloric Acid SCHEMBL1844709 0.72 TAAR1 (0.44) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1843572 0.72 TAAR1 (0.44) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3979810 0.70 MAOB (0.43) TAAR1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16313542 0.70 NPC1 (0.53) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5758318 0.70 TAAR1 (0.41) TAAR1SMN1; SMN2NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed