SCHEMBL696517

SCHEMBL696517

C=C(c1ncc[nH]1)c1cccc(C)c1CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
HTR1A P08908 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
F2RL1 P55085 3/20 0.34
PAK4 O96013 1/20 0.32
GLA P06280 1/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL697619 0.82 KMT2A (0.41) TAAR1KMT2ANPC1RAB9AF2RL1
SCHEMBL697291 0.82 KMT2A (0.46) TAAR1KMT2ANPC1RAB9APAK4
SCHEMBL698900 0.80 KMT2A (0.46) TAAR1KMT2ANPC1RAB9AF2RL1
SCHEMBL698561 0.77 TAAR1 (0.44) TAAR1HTR1AKMT2ANPC1RAB9A
SCHEMBL697294 0.77 KMT2A (0.37) TAAR1KMT2ANPC1RAB9AF2RL1
SCHEMBL703857 0.74 KMT2A (0.39) TAAR1KMT2ANPC1RAB9AF2RL1
SCHEMBL698190 0.74 KMT2A (0.52) TAAR1HTR1AKMT2ANPC1RAB9A
SCHEMBL697082 0.72 SMPD3 (0.38) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL697904 0.72 KMT2A (0.42) KMT2ANPC1RAB9AF2RL1GLA
SCHEMBL11266816 0.71 KMT2A (0.47) TAAR1KMT2ANPC1RAB9AF2RL1

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-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed