SCHEMBL11117325

SCHEMBL11117325

OC(COc1cccc(Cl)c1)CN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
HTR1A P08908 6/20 0.52
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
CCR2 P41597 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
SLC6A4 P31645 2/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL11113767 0.90 GAA (0.59) KMT2AHTR1ASMN1; SMN2SLC6A4
Hydrochloric Acid SCHEMBL11007073 0.89 GAA (0.59) KMT2AHTR1ADRD2DRD4DRD3
SCHEMBL11118598 0.87 KMT2A (0.53) KMT2AHTR1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL11014416 0.83 KMT2A (0.60) KMT2AHTR1ASLC6A4USP2
SCHEMBL11010053 0.82 DRD4 (0.64) KMT2AHTR1ADRD2DRD4SLC6A4
SCHEMBL7882947 0.82 HTR1A (0.69) HTR1ASLC6A4
SCHEMBL8691170 0.82 HTR1A (0.69) HTR1ASLC6A4
SCHEMBL8695826 0.81 HTR1A (0.70) HTR1ASLC6A4
SCHEMBL7885543 0.81 HTR1A (0.70) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL11015770 0.80 LMNA (0.64) KMT2AHTR1ASMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112191-A1 4-(1H-indolyl-3-)-alpha-methyl piperidine-1-ethanol derivatives, their salts, process for their preparation, compositions containing them and their use as medicines ROUSSEL-UCLAF (FR) 1984-06-27 EP disclosed