SCHEMBL11299731

SCHEMBL11299731

Cc1cccc(C)c1C=Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAF1 P04049 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TLK2 Q86UE8 1/20 0.35
NISCH Q9Y2I1 2/20 0.34
ALOX5 P09917 1/20 0.34
F2RL1 P55085 1/20 0.33
HTR1A P08908 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL11299729 1.00 TAAR1 (0.45) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11296699 0.81 RAB9A (0.48) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11296696 0.81 RAB9A (0.48) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11294763 0.81 RAB9A (0.50) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11294766 0.81 RAB9A (0.50) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11291282 0.79 RAB9A (0.55) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11291280 0.79 RAB9A (0.55) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11288890 0.77 TAAR1 (0.51) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11288889 0.77 TAAR1 (0.51) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11292832 0.74 TAAR1 (0.49) TAAR1NPC1RAB9AALDH1A1SMN1; SMN2

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
EP-0064820-A1 Substituted imidazole and imidazoline derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-11-17 EP claimed
EP-0064820-A1 Substituted imidazole and imidazoline derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1982-11-17 EP disclosed