SCHEMBL11210083

SCHEMBL11210083

Cc1ccccc1CCCC=Cc1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
CYP19A1 P11511 1/20 0.33
DAO P14920 3/20 0.32
GPR84 Q9NQS5 1/20 0.32
P2RX7 Q99572 1/20 0.32
DHFR P00374 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL11205811 0.86 TAAR1 (0.32) TAAR1
SCHEMBL11210132 0.84 TAAR1 (0.39) TAAR1DHFR
SCHEMBL11235805 0.83 TAAR1 (0.36) TAAR1P2RX7ADRA2AADRA2BADRA2C
SCHEMBL10795323 0.82 MEN1 (0.33) TAAR1
SCHEMBL10789648 0.80 TAAR1 (0.38) TAAR1DAOP2RX7
SCHEMBL11206110 0.79 TAAR1 (0.33) TAAR1
SCHEMBL10793183 0.78 TAAR1 (0.39) TAAR1CYP19A1DAOGPR84P2RX7
SCHEMBL10789680 0.77 TAAR1 (0.38) TAAR1DAODHFR
SCHEMBL11207952 0.77 TAAR1 (0.34) TAAR1
SCHEMBL11204976 0.75 TAAR1 (0.41) TAAR1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034474-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-01-26 EP disclosed
US-4333947-A HYPOTENSIVE AGENTS, BACTERICIDES, FUNGICIDES FARMOS-YHTYMA OY (FI) 1982-06-08 US disclosed
EP-0034474-A1 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP disclosed