SCHEMBL16401473

SCHEMBL16401473

[CH2]c1nn[nH]c1Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALOX5 P09917 1/20 0.39
MPO P05164 1/20 0.38
KMT2A Q03164 1/20 0.37
TEAD4 Q15561 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BACE1 P56817 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CTRC Q99895 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL16401452 0.80 CALM1 (0.41) CYP2D6TAAR1CYP1A2
SCHEMBL16401423 0.75 YTHDF3 (0.44) TAAR1MPO
SCHEMBL1247974 0.72 CYP2D6 (0.46) CYP2D6NFKB1TAAR1CYP1A2CYP2A6
SCHEMBL16401705 0.72 HTR2C (0.44) CYP2D6TAAR1CYP1A2MPOHTR2A
SCHEMBL2838141 0.71 CYP1A2 (0.65) CYP2D6NFKB1TAAR1CYP1A2CYP2A6
SCHEMBL16401670 0.68 KCNH2 (0.38) TAAR1CYP1A2CYP2A6HTR2A
SCHEMBL28846677 0.67 CYP1A2 (0.60) CYP2D6NFKB1TAAR1CYP1A2CYP2A6
SCHEMBL5900962 0.67 CYP1A2 (0.60) CYP2D6NFKB1TAAR1CYP1A2CYP2A6
SCHEMBL8668107 0.66 CYP2D6 (0.38) CYP2D6NFKB1TAAR1CYP1A2CYP2A6
SCHEMBL18621239 0.66 MPO (0.60) CYP2D6NFKB1TAAR1ALOX5MPO

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed