SCHEMBL6993677

SCHEMBL6993677

CCCCCN1CCC(CCOc2ccccc2Cc2ccccc2)C(OC)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.51
DRD1 P21728 6/20 0.51
DRD5 P21918 5/20 0.51
DRD4 P21917 4/20 0.51
DRD3 P35462 4/20 0.51
DRD2 P14416 3/20 0.51
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6993670 1.00 HRH1 (0.51) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6993882 1.00 HRH1 (0.51) HRH1DRD1DRD5DRD4DRD3
SCHEMBL8561183 1.00 HRH1 (0.51) HRH1DRD1DRD5DRD4DRD3
Oxalic Acid SCHEMBL6992364 0.95 KDM4E (0.48) HRH1DRD1DRD5DRD4DRD3
Oxalic Acid SCHEMBL6998099 0.95 KDM4E (0.48) HRH1DRD1DRD5DRD4DRD3
Oxalic Acid SCHEMBL6992367 0.95 KDM4E (0.48) HRH1DRD1DRD5DRD4DRD3
SCHEMBL6991324 0.85 ALDH1A1 (0.52) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL6991320 0.85 ALDH1A1 (0.52) L3MBTL1TP53MEN1KMT2AKDM4E
SCHEMBL6995776 0.83 HTR1A (0.44) DRD1DRD5DRD4DRD3DRD2
SCHEMBL6995780 0.83 HTR1A (0.44) DRD1DRD5DRD4DRD3DRD2

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 4 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-A1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1998-07-22 EP claimed
WO-1997010212-A1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-03-20 WO claimed
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed