SCHEMBL11298150

SCHEMBL11298150

Cc1cccc(CC=Cc2ncc[nH]2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
HTR1A P08908 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER1 P34995 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL11293291 0.86 TAAR1 (0.39) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11293288 0.86 TAAR1 (0.39) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11288889 0.84 TAAR1 (0.51) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11288890 0.84 TAAR1 (0.51) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11296696 0.76 RAB9A (0.48) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11296699 0.76 RAB9A (0.48) TAAR1HTR1ANPC1RAB9AADRA2A
SCHEMBL11205137 0.75 PARP1 (0.36) TAAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL11292830 0.75 TAAR1 (0.49) TAAR1HTR1ANPC1RAB9AALDH1A1
SCHEMBL11292832 0.75 TAAR1 (0.49) TAAR1HTR1ANPC1RAB9AALDH1A1
SCHEMBL11293787 0.74 TAAR1 (0.48) TAAR1HTR1ANPC1RAB9AALDH1A1

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 1 patent. 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 disclosed