SCHEMBL10698044

SCHEMBL10698044

NC[CH]C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 3/20 0.50
HRH1 P35367 2/20 0.46
DPP4 P27487 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
F2 P00734 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL7986088 0.76 TAAR1 (0.46) TAAR1HTR2AHRH1DPP4F2
SCHEMBL9205893 0.76 TAAR1 (0.52) TAAR1HTR2AHRH1CHRNB2CHRNA4
SCHEMBL8974394 0.75 LMNA (0.44) TAAR1HTR2AHRH1DPP4
SCHEMBL8710872 0.73 MAOB (0.50) TAAR1HTR2ASLC6A4SLC6A3
SCHEMBL4682442 0.72 TAAR1 (0.42) TAAR1HTR2AHRH1DPP4CHRNB2
SCHEMBL5787394 0.72 TAAR1 (0.42) TAAR1HTR2AHRH1DPP4CHRNB2
SCHEMBL4820232 0.70 KCNH2 (0.41) TAAR1HTR2ALOXL2CYP2D6
SCHEMBL8522965 0.69 DPP4 (0.45) TAAR1HTR2AHRH1DPP4F2
SCHEMBL7755851 0.68 HTR2A (0.54) TAAR1HTR2AHRH1DPP4F2
SCHEMBL149259 0.67 HTR2A (1.00) TAAR1HTR2AHRH1DPP4F2

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-0278089-A2 2-Azacyclocarboxamide derivatives FISONS CORPORATION (a Massachusetts corporation) (US) 1988-08-17 EP disclosed