SCHEMBL6917941

SCHEMBL6917941

C=C[N+]1(c2ccccc2OC)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.41
HTR2C P28335 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
DRD2 P14416 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR7 P34969 5/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL10707887 0.77 HTR2C (0.45) HTR3AHTR2CSIGMAR1DRD2HTR3E
SCHEMBL615912 0.76 HTR2C (0.44) HTR3AHTR2CSIGMAR1DRD2HTR3E
SCHEMBL5944589 0.67 CA1 (0.46) HTR3AHTR2CSIGMAR1DRD2HTR3E
SCHEMBL372440 0.66 CA1 (0.44) HTR3AHTR2CSIGMAR1DRD2HTR3E
SCHEMBL8815732 0.62 CA1 (0.44) CYP2C19LMNACA12CA1CA2
1,2-Dimethoxybenzene SCHEMBL27567930 0.59 CA1 (0.87) LMNAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL9069817 0.59 HTR3A (0.93) HTR3ASIGMAR1DRD2HTR3EHTR3B
1,2-Dimethoxybenzene SCHEMBL5308636 0.59 CA1 (1.00) LMNAMAPTCA12CA1CA2
1,2-Dimethoxybenzene SCHEMBL29351917 0.59 CA1 (1.00) LMNAMAPTCA12CA1CA2
1,2-Dimethoxybenzene SCHEMBL105872 0.59 CA1 (1.00) LMNAMAPTCA12CA1CA2

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-6686321-B2 MIXTURE; LUBRICANT OIL ADDITIVE CASTROL LIMITED (GB) 2004-02-03 US claimed