SCHEMBL8548574

SCHEMBL8548574

CC(CN1CCC(C2=COC(C3=CC=CCC3)=CO2)CC1)N(C(=O)C1CCCCC1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADRA1A P35348 6/20 0.37
DRD4 P21917 5/20 0.37
ADRA1B P35368 5/20 0.37
HTR7 P34969 3/20 0.37
HTR2B P41595 3/20 0.37
HTR2A P28223 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
OPRM1 P35372 3/20 0.36
ACHE P22303 1/20 0.35
ADRA1D P25100 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTR1B P28222 1/20 0.34
OPRD1 P41143 1/20 0.33
BLM P54132 1/20 0.32

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
SCHEMBL8548576 0.71 HTR1A (0.57) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8548570 0.71 HTR1A (0.57) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8546364 0.70 HTR1A (0.53) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8010247 0.68 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7474356 0.68 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL7474354 0.68 HTR1A (1.00) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27351354 0.67 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL27347000 0.67 HTR1A (0.73) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8136258 0.66 HTR1A (0.70) HTR1AMEN1KMT2AADRA1ADRD4
SCHEMBL8136249 0.66 HTR1A (0.65) HTR1AMEN1KMT2AADRA1ADRD4

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 5 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
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