SCHEMBL8546364

SCHEMBL8546364

CCN(CC)CC.C[C@H](CN1CCC(c2cccc3c2OCCO3)CC1)N(C(=O)C1CCCCC1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
OPRM1 P35372 1/20 0.39
HTR2A P28223 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
DRD4 P21917 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36

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 0.96 HTR1A (0.57) HTR1AMEN1KMT2AOPRM1HTR2A
SCHEMBL8548570 0.96 HTR1A (0.57) HTR1AMEN1KMT2AOPRM1HTR2A
SCHEMBL13085827 0.70 HTR1A (0.72) HTR1AMEN1KMT2AOPRM1DRD4
SCHEMBL13085826 0.70 HTR1A (0.72) HTR1AMEN1KMT2AOPRM1DRD4
SCHEMBL8593020 0.70 HTR1A (0.42) HTR1AHTR2ADRD2DRD3
SCHEMBL8593022 0.70 HTR1A (0.42) HTR1AHTR2ADRD2DRD3
SCHEMBL8548574 0.70 HTR1A (0.51) HTR1AMEN1KMT2AOPRM1HTR2A
SCHEMBL27347000 0.70 HTR1A (0.73) HTR1AMEN1KMT2AHTR2ADRD3
SCHEMBL27351354 0.70 HTR1A (0.73) HTR1AMEN1KMT2AHTR2ADRD3
SCHEMBL8120514 0.70 HTR1A (0.42) HTR1AMEN1KMT2ADRD4HTR7

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 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