SCHEMBL8530408

SCHEMBL8530408

CN1CCNC(c2ccccc2)C1c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
RBP4 P02753 2/20 0.39
PRCP P42785 1/20 0.38
TACR1 P25103 5/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
THPO P40225 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8430935 0.79 TACR1 (0.50) HTR2CTACR1TP53CYP1A2CYP3A4
SCHEMBL5790938 0.71 GAA (0.43) HTR2CHTR2AHTR2BRBP4GAA
SCHEMBL2908098 0.70 KDM1A (0.37) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5968438 0.69 GAA (0.44) HTR2CHTR2BRBP4TACR1GAA
SCHEMBL15670008 0.68 HTR2C (0.49) HTR2CHTR2BRBP4GAATDP1
SCHEMBL27743375 0.67 POLB (0.40) HTR2BTSHR
SCHEMBL2913724 0.66 POLB (0.42) HTR2BTDP1TSHRMEN1KMT2A
SCHEMBL2908423 0.66 KMT2A (0.40) GAATDP1TSHRMEN1KMT2A
SCHEMBL28490903 0.66 ALDH1A1 (0.41) HTR2BPRCPGAACYP1A2CYP2D6
SCHEMBL16226110 0.65 CHRNA7 (0.52) PRCPTACR1TSHRKMT2A

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
US-5795894-A TREATMENT OF ASTHMA AND BRONCHOSPASM SCHERING CORPORATION (US) 1998-08-18 US disclosed