SCHEMBL22397181

SCHEMBL22397181

C[C@@H](CO)Oc1ccccc1CN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
DPP4 P27487 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PNMT P11086 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8796327 1.00 TAAR1 (0.38) TAAR1DPP4MTNR1AMTNR1BPNMT
SCHEMBL15057877 0.85 MTNR1A (0.38) MTNR1AMTNR1BCYP1A2LMNAKDM4E
SCHEMBL12301968 0.84 ADRA2A (0.47) MTNR1AMTNR1BIRAK4KDM4E
SCHEMBL7013166 0.84 MCHR1 (0.46) TAAR1DPP4MTNR1AMTNR1BPNMT
SCHEMBL10056778 0.83 TAAR1 (0.45) TAAR1
SCHEMBL74606 0.83 TAAR1 (0.45) TAAR1
SCHEMBL73995 0.83 TAAR1 (0.45) TAAR1
SCHEMBL14092183 0.83 ALOX15 (0.35) TAAR1MTNR1AMTNR1BIRAK4CYP1A2
SCHEMBL11303009 0.82 MTNR1A (0.47) MTNR1AMTNR1BIRAK4CYP1A2LMNA
SCHEMBL855754 0.81 IRAK4 (0.47) TAAR1PNMTIRAK4SMN1; SMN2

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-3704118-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed