SCHEMBL7780178

SCHEMBL7780178

Cc1cc(N(c2cc(Cc3cccc(C(F)(F)F)c3)ncn2)C(F)(F)F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.39
RAB9A P51151 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR52 Q9Y2T5 1/20 0.34
CNR1 P21554 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
THRB P10828 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
SCHEMBL7780187 0.89 HTR2B (0.36) RAB9AHTR2CHTR2BHTR2AMEN1
SCHEMBL7776071 0.86 S1PR1 (0.35) S1PR1
SCHEMBL7782557 0.85 CETP (0.45) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL7776065 0.79 S1PR1 (0.41) S1PR1RAB9AHTR2CHTR2BHTR2A
SCHEMBL7783750 0.78 SLC6A2 (0.33)
SCHEMBL7782554 0.75 EGFR (0.45) RAB9AHTR2CHTR2BHTR2AMEN1
SCHEMBL7781130 0.74 NR3C2 (0.33) GPR52GRIN1
SCHEMBL7780260 0.74 RXRA (0.43) MEN1KMT2ACNR1
SCHEMBL7776064 0.74 HTR2B (0.46) HTR2CHTR2BHTR2AGPR52
SCHEMBL31750237 0.74 HTR2B (0.46) HTR2CHTR2BHTR2AGPR52

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-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP claimed