SCHEMBL9546973

SCHEMBL9546973

CO[C@H](CN)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.46
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LAP3 P28838 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL2554330 1.00 TAAR1 (0.48) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL791591 0.87 TAAR1 (0.50) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL11511087 0.86 TAAR1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL25153003 0.85 MAOB (0.57) SLC6A2SIGMAR1MAOASLC6A3LAP3
SCHEMBL12569402 0.84 ALDH1A1 (0.53) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL11565795 0.81 ALDH1A1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL8441498 0.81 TRPA1 (0.47) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL12847348 0.80 TAAR1 (0.45) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL2554011 0.80 TAAR1 (0.50) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL4405219 0.80 SLC6A4 (0.58) TAAR1SLC6A4CYP2D6ALDH1A1

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-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed