SCHEMBL9001256

SCHEMBL9001256

COc1ccccc1C1CCN(CCC(C(=O)N2CCCCCC2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.68
HTR1D P28221 1/20 0.68
HTR2B P41595 1/20 0.68
DRD2 P14416 1/20 0.55
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
CACNA1G O43497 1/20 0.50
KCNH2 Q12809 1/20 0.50
CCR5 P51681 1/20 0.49
CCR8 P51685 1/20 0.48
CHRM4 P08173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 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
SCHEMBL8796977 0.84 HTR1A (0.61) HTR1AHTR1DHTR2BCCR5CCR8
SCHEMBL8799021 0.84 HTR1A (0.61) HTR1AHTR1DHTR2BCCR5CCR8
Hydrochloric Acid SCHEMBL8798496 0.84 HTR1A (0.60) HTR1AHTR1DHTR2BCCR5CCR8
SCHEMBL8065712 0.81 HTR1A (1.00) HTR1AHTR1DHTR2BDRD2ALDH1A1
SCHEMBL6546383 0.81 HTR1A (1.00) HTR1AHTR1DHTR2BDRD2ALDH1A1
Fumaric Acid SCHEMBL8799082 0.81 HTR1A (0.57) HTR1AHTR1DHTR2BCCR5CCR8
Fumaric Acid SCHEMBL8799091 0.81 HTR1A (0.57) HTR1AHTR1DHTR2BCCR5CCR8
SCHEMBL9001212 0.79 MEN1 (0.58) HTR1ADRD2MEN1KMT2ACACNA1G
SCHEMBL9001189 0.79 HTR1A (0.50) HTR1AHTR1DHTR2BMEN1KMT2A
SCHEMBL7937291 0.75 HTR1A (0.62) HTR1AHTR1DHTR2BMEN1KMT2A

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
US-5585374-A Amide derivatives JOHN WYETH BROTHER, LIMITED (GB) 1996-12-17 US claimed
US-5585374-A Amide derivatives JOHN WYETH BROTHER, LIMITED (GB) 1996-12-17 US disclosed