SCHEMBL8544239

SCHEMBL8544239

COc1ccccc1C1CCN([C@H](C)CN(C(=O)C2CCCCC2)c2ccccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.68
HTR1A P08908 6/20 0.56
DRD4 P21917 4/20 0.56
ADRA1A P35348 4/20 0.56
ADRA1B P35368 4/20 0.56
ADRA1D P25100 3/20 0.56
HTR7 P34969 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2B P41595 2/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HTR2A P28223 1/20 0.47

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
SCHEMBL8410968 1.00 OPRM1 (0.68) OPRM1HTR1ADRD4ADRA1AADRA1B
SCHEMBL8001428 0.86 HTR1A (0.73) OPRM1HTR1ADRD4ADRA1AADRA1B
SCHEMBL9051902 0.86 HTR1A (0.73) OPRM1HTR1ADRD4ADRA1AADRA1B
SCHEMBL8011497 0.86 HTR1A (0.73) OPRM1HTR1ADRD4ADRA1AADRA1B
SCHEMBL8297779 0.85 HTR1A (0.75) HTR1ADRD4ADRA1AADRA1BADRA1D
SCHEMBL8543106 0.83 OPRM1 (0.62) OPRM1HTR1ADRD4ADRA1AADRA1B
SCHEMBL8297150 0.82 HTR1A (0.71) HTR1ADRD4ADRA1AADRA1BADRA1D
SCHEMBL8298767 0.82 HTR1A (0.71) HTR1ADRD4ADRA1AADRA1BADRA1D
SCHEMBL8574525 0.82 HTR1A (0.71) HTR1ADRD4ADRA1AADRA1BADRA1D
SCHEMBL8296057 0.80 HTR1A (0.70) HTR1ADRD4ADRA1AADRA1BADRA1D

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 8 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
US-5763460-A N-(piperidinyl-1-alkyl)-substituted cyclohexane carboxylic acid amides as 5-htia receptor antagonists JOHN WYETH & BROTHER LIMITED (US) 1998-06-09 US 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
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 disclosed
US-5763460-A N-(piperidinyl-1-alkyl)-substituted cyclohexane carboxylic acid amides as 5-htia receptor antagonists JOHN WYETH & BROTHER LIMITED (US) 1998-06-09 US disclosed
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 disclosed
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 disclosed