SCHEMBL4739246

SCHEMBL4739246

C#CN(C)Cc1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.56
CAMKK2 Q96RR4 1/20 0.56
AOC3 Q16853 1/20 0.51
TAAR1 Q96RJ0 3/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B2 P37059 3/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CMA1 P23946 1/20 0.45
MEN1 O00255 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5924069 0.83 CALM1 (0.52) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL29547354 0.80 CALM1 (0.64) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL850832 0.80 CALM1 (0.64) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL1134084 0.80 KMT2A (0.61) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL4739963 0.79 PYCR1 (0.64) AOC3TAAR1IDO1AGXTKMT2A
SCHEMBL30093216 0.77 CALM1 (0.60) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL14492586 0.77 AOC3 (0.70) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL4526554 0.76 CALM1 (0.55) CALM1CAMKK2AOC3TAAR1IDO1
SCHEMBL6461595 0.75 TAAR1 (0.55) AOC3TAAR1IDO1AGXTCHRM2
SCHEMBL14920640 0.75 TAAR1 (0.55) CALM1CAMKK2AOC3TAAR1IDO1

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-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed