SCHEMBL5548800

SCHEMBL5548800

CN1CCNCC1c1c[nH]cn1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.30
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL2900748 0.74 PLD1 (0.42) TAAR1HTR2AHTR2CHTR2B
SCHEMBL6627980 0.74 CCNA2 (0.31)
SCHEMBL12900583 0.72 DDB1 (0.39) TAAR1HTR2AHTR2CHTR2B
SCHEMBL12900585 0.72 HTR2C (0.33) TAAR1HTR2AHTR2CHTR2B
SCHEMBL5314288 0.71 CYP2D6 (0.33) SYKAURKB
SCHEMBL30983619 0.71 HRH3 (0.47) HTR2AHTR2CHTR2B
SCHEMBL5259101 0.70 HRH4 (0.31)
SCHEMBL22566872 0.69 HTR2C (0.34) TAAR1HTR2AHTR2CHTR2B
SCHEMBL5345232 0.69 HTR2C (0.33) TAAR1HTR2AHTR2CHTR2B
SCHEMBL27502044 0.69 ADRA1A (0.36) HTR2AHTR2CHTR2B

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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed