SCHEMBL8414975

SCHEMBL8414975

COc1ccc(Cl)cc1C(=O)NC1(C)CCN(CCCOc2ccc(F)cc2Br)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
F10 P00742 1/20 0.41
RET P07949 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR3 P51677 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL8866360 0.89 HTR4 (0.51) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL8417837 0.82 KCNH2 (0.45) HTR2AHTR2CHTR2BL3MBTL1DRD2
SCHEMBL8416209 0.78 KCNH2 (0.45) ALDH1A1SMN1; SMN2LMNAHTR2AHTR2C
SCHEMBL8865738 0.78 KCNH2 (0.52) ALDH1A1SMN1; SMN2LMNAHTR2AHTR2C
SCHEMBL8417804 0.77 DRD3 (0.50) ALDH1A1SMN1; SMN2LMNAHTR2AHTR2B
SCHEMBL8866229 0.76 HTR4 (0.64) ALDH1A1MEN1KMT2AHTR2AHTR2C
SCHEMBL20069763 0.75 PIN1 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL8866468 0.73 KCNH2 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8865630 0.73 HTR4 (0.52) ALDH1A1SMN1; SMN2LMNAHTR2AHTR2C
SCHEMBL29904381 0.73 HTR4 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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