SCHEMBL10885147

SCHEMBL10885147

Cc1cccc(C)c1NCc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ADRA2C P18825 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR1D P28221 1/20 0.32
CYP3A4 P08684 6/20 0.31
CYP2C9 P11712 5/20 0.31
CYP2C19 P33261 5/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2D6 P10635 1/20 0.31
PTGES O14684 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL10883145 0.84 TAAR1 (0.31) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL10883500 0.83 TP53 (0.47) L3MBTL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL10885162 0.82 ADRA2C (0.51) L3MBTL1ADRA1AADRA2CCYP3A4CYP2C9
SCHEMBL10883596 0.81 KCNH2 (0.39) HTR1ATAAR1
SCHEMBL10884796 0.80 ADRA2A (0.37) HTR1AADRA1DADRA1AADRA1BADRA2C
SCHEMBL10886910 0.79 TAAR1 (0.38) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL2103783 0.74 TAAR1 (0.46) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL631554 0.74 MAOA (0.55) TAAR1NPC1MAPTRAB9A
SCHEMBL10882048 0.73 L3MBTL1 (0.39) L3MBTL1HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL631888 0.72 MAOA (0.53) TAAR1NPC1MAPTRAB9A

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-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP claimed
US-4517198-A Diuretic imidazole derivatives FARMOS GROUP LTD. (FI) 1985-05-14 US claimed
EP-0081324-A2 Substituted pharmacologically acitve imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-06-15 EP claimed
EP-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP disclosed
US-4517198-A Diuretic imidazole derivatives FARMOS GROUP LTD. (FI) 1985-05-14 US disclosed
EP-0081324-A2 Substituted pharmacologically acitve imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-06-15 EP disclosed