SCHEMBL6995780

SCHEMBL6995780

CCCCCN1CCC(CCOc2cccc(C)c2C)C(OC)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
DRD2 P14416 6/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR6 P50406 1/20 0.40
DRD1 P21728 6/20 0.39
DRD4 P21917 6/20 0.39
DRD5 P21918 6/20 0.39
DRD3 P35462 6/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL6995776 1.00 HTR1A (0.44) HTR1ASMN1; SMN2DRD2HTR2AHTR7
Oxalic Acid SCHEMBL6994123 0.94 MEN1 (0.43) HTR1ACYP2D6CYP2C19MEN1KMT2A
Oxalic Acid SCHEMBL6996118 0.94 MEN1 (0.43) HTR1ACYP2D6CYP2C19MEN1KMT2A
SCHEMBL6991324 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL6991320 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL6993677 0.83 HRH1 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6993882 0.83 HRH1 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL8561183 0.83 HRH1 (0.51) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6993670 0.83 HRH1 (0.51) DRD2DRD1DRD4DRD5DRD3
Oxalic Acid SCHEMBL6991632 0.80 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP claimed
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed