SCHEMBL11214569

SCHEMBL11214569

CCc1cccc(CC)c1C=Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDK2 Q15119 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
SCHEMBL11206145 0.82 TAAR1 (0.36) GABRA1GABRB2HTR1ATAAR1
SCHEMBL11211231 0.80 TAAR1 (0.37) GABRA1GABRB2HTR1ATAAR1
SCHEMBL9309998 0.78 RAF1 (0.36)
SCHEMBL9309994 0.78 RAF1 (0.36)
SCHEMBL11208533 0.76 TAAR1 (0.34) HTR1ATAAR1
SCHEMBL11204854 0.75 MAPT (0.49)
SCHEMBL11213582 0.75 KCNH2 (0.49)
SCHEMBL11210758 0.75 MAOB (0.32)
SCHEMBL11210840 0.74 CYP1A1 (0.45)
SCHEMBL11210877 0.70 PTGER1 (0.33)

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