SCHEMBL8548576

SCHEMBL8548576

CC(CN1CCC(c2cccc3c2OCCO3)CC1)N(C(=O)C1CCCCC1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
OPRM1 P35372 1/20 0.41
HTR2A P28223 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL8548570 1.00 HTR1A (0.57) HTR1AMEN1KMT2AOPRM1HTR2A
SCHEMBL8546364 0.96 HTR1A (0.53) HTR1AMEN1KMT2AOPRM1HTR2A
SCHEMBL13085827 0.73 HTR1A (0.72) HTR1AMEN1KMT2AOPRM1DRD4
SCHEMBL13085826 0.73 HTR1A (0.72) HTR1AMEN1KMT2AOPRM1DRD4
SCHEMBL8593022 0.73 HTR1A (0.42) HTR1AHTR2ADRD2DRD3
SCHEMBL8593020 0.73 HTR1A (0.42) HTR1AHTR2ADRD2DRD3
SCHEMBL7474354 0.72 HTR1A (1.00) HTR1AMEN1KMT2ADRD4HTR7
SCHEMBL7474356 0.72 HTR1A (1.00) HTR1AMEN1KMT2ADRD4HTR7
SCHEMBL8010247 0.72 HTR1A (1.00) HTR1AMEN1KMT2ADRD4HTR7
SCHEMBL8136258 0.72 HTR1A (0.70) HTR1AMEN1KMT2AHTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711291-B1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1998-11-25 EP claimed
EP-0711291-A1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1996-05-15 EP claimed
WO-1995002592-A1 N-(PIPERIDINYL-1-ALKYL)-SUBSTITUTED CYCLOHEXANE CARBOXYLIC ACID AMIDES AS 5-HT1A RECEPTOR ANTAGONISTS JOHN WYETH & BROTHER LTD. (GB) 1995-01-26 WO claimed