SCHEMBL8417804

SCHEMBL8417804

COc1ccccc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NLRP1 Q9C000 1/20 0.50
DRD2 P14416 6/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
CCR3 P51677 1/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
HRH1 P35367 3/20 0.46
SLC6A4 P31645 2/20 0.46
HTR7 P34969 2/20 0.46
HTR2B P41595 2/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL8416209 0.88 KCNH2 (0.45) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8866468 0.88 KCNH2 (0.48) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8417837 0.88 KCNH2 (0.45) DRD3MAPTDRD2ADRA1DADRA1A
Water SCHEMBL7130515 0.87 KCNH2 (0.49) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8865630 0.84 HTR4 (0.52) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8865738 0.84 KCNH2 (0.52) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8866229 0.84 HTR4 (0.64) DRD3MAPTALDH1A1DRD2ADRA1D
SCHEMBL29904381 0.84 HTR4 (0.52) DRD3LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL8415110 0.82 HTR2A (0.54) DRD3LMNAMAPTALDH1A1DRD2
SCHEMBL21652028 0.80 CHRM5 (0.52) ALDH1A1SMN1; SMN2DRD2CCR3DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650475-B1 4-AMINO-N-(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES, THEIR PREPARATION AND THEIR USE AS 5-HT2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 1999-09-01 EP claimed
EP-0650475-B1 4-AMINO-N-(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES, THEIR PREPARATION AND THEIR USE AS 5-HT2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 1999-09-01 EP disclosed