SCHEMBL28066404

SCHEMBL28066404

O=C(CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
DRD2 P14416 6/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
HTR2A P28223 4/20 0.59
DRD4 P21917 3/20 0.59
DRD3 P35462 3/20 0.59
HTR1A P08908 2/20 0.59
HTR2C P28335 2/20 0.59
ADRA2C P18825 1/20 0.59
HRH1 P35367 1/20 0.59
HTR7 P34969 2/20 0.59
CYP2D6 P10635 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL17549656 0.88 SLC6A4 (0.70) DRD2MEN1KMT2AATMHTR2A
SCHEMBL17549667 0.83 SLC6A4 (0.67) KMT2AATMHTR1ALMNASIGMAR1
SCHEMBL17549682 0.82 SLC6A4 (0.64) DRD2MEN1KMT2AATMHTR2A
SCHEMBL6234537 0.81 DRD2 (0.77) TSHRDRD2HTR2ADRD4DRD3
SCHEMBL11834858 0.81 TSHR (0.67) TSHRDRD2MEN1KMT2AHTR2A
SCHEMBL11834324 0.81 TSHR (0.67) TSHRDRD2MEN1KMT2AHTR2A
SCHEMBL10021781 0.81 HTR1A (0.58) TSHRDRD2HTR2ADRD4DRD3
SCHEMBL3631348 0.80 LMNA (0.63) DRD2ATMHTR2ADRD3HRH1
Hydrochloric Acid SCHEMBL11791961 0.80 CYP2D6 (0.70) TSHRDRD2MEN1KMT2AHTR2A
SCHEMBL11884141 0.80 CYP2D6 (0.89) DRD2MEN1KMT2AHTR2ADRD3

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
CN-105601589-A Dipfluzine-p-hydroxybenzoic acid eutectic crystal and preparation method thereof UNIV HEBEI MEDICAL 2016-05-25 CN disclosed