SCHEMBL27733481

SCHEMBL27733481

CC(O)(c1ncc[nH]1)c1cccc(Cl)c1CN

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.43
CYP19A1 P11511 1/20 0.40
F2RL1 P55085 2/20 0.39
ADRA1A P35348 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR1A P08908 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.32
MC4R P32245 1/20 0.32
MDM2 Q00987 1/20 0.31
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27753899 0.85 TAAR1 (0.38) TAAR1CYP19A1F2RL1ADRA1AHTR1A
SCHEMBL706070 0.82 CYP19A1 (0.48) TAAR1CYP19A1F2RL1ADRA1AADRA2A
SCHEMBL6299558 0.82 CYP19A1 (0.46) TAAR1CYP19A1F2RL1ADRA1AADRA2A
SCHEMBL698787 0.81 CYP19A1 (0.43) TAAR1CYP19A1F2RL1ADRA1AADRA2A
SCHEMBL698375 0.78 CYP19A1 (0.40) TAAR1CYP19A1F2RL1ADRA1AADRA2A
SCHEMBL28775053 0.77 CYP19A1 (0.40) CYP19A1MDM2
SCHEMBL699180 0.76 CYP19A1 (0.47) TAAR1CYP19A1F2RL1ADRA1AADRA2A
SCHEMBL697435 0.75 CYP19A1 (0.46) TAAR1CYP19A1ADRA1AADRA2AADRA2C
SCHEMBL21483569 0.74 TAAR1 (0.44) TAAR1ADRA1AADRA2AADRA2CADRA1D
SCHEMBL697775 0.74 TAAR1 (0.44) TAAR1CYP19A1KMT2ACYP2D6CYP2C19

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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN disclosed