SCHEMBL4980263

SCHEMBL4980263

COc1ccc(C(=O)C2CCN(CCC3CCC(C(N)=O)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM2B Q8NHM5 3/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SLC18A3 Q16572 2/20 0.49
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5468234 0.85 ALDH1A1 (0.55) L3MBTL1POLBKDM2BLMNAALDH1A1
SCHEMBL5468231 0.85 ALDH1A1 (0.55) L3MBTL1POLBKDM2BLMNAALDH1A1
SCHEMBL2531236 0.85 HTR2C (0.62) LMNASMN1; SMN2CYP1A2
SCHEMBL4979009 0.85 HTR2C (0.62) LMNASMN1; SMN2CYP1A2
SCHEMBL3847014 0.83 DRD2 (0.59) MEN1KMT2A
SCHEMBL4978585 0.80 KCNH2 (0.55) POLBKDM2BALDH1A1HSD11B1GAA
SCHEMBL2533334 0.80 HSD11B1 (0.48) POLBLMNAALDH1A1HSD11B1CYP1A2
SCHEMBL9227281 0.78 KCNH2 (0.64) POLBTDP1NPC1RAB9AKDM2B
SCHEMBL7247553 0.78 POLB (0.61) POLBTDP1NPC1RAB9AKDM2B
SCHEMBL18730260 0.78 POLB (0.68) POLBTDP1NPC1RAB9AKDM2B

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-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed