SCHEMBL3134693

SCHEMBL3134693

O=C(CN1CCN(c2ccccc2)CC1)N1CCC(CNCc2ccccn2)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.49
MAPT P10636 6/20 0.47
POLB P06746 2/20 0.47
TACR1 P25103 2/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1A P35348 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 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
SCHEMBL2811063 0.89 ALDH1A1 (0.46) PHGDHMAPTTACR1ALDH1A1LMNA
SCHEMBL3129391 0.88 POLB (0.50) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL3136880 0.86 POLB (0.49) PHGDHMAPTPOLBTACR1ALDH1A1
SCHEMBL3129315 0.84 POLB (0.47) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL3132930 0.84 MAPT (0.47) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL4844573 0.84 MAPT (0.53) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL3129232 0.84 MAPT (0.53) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL3131744 0.84 KDM4E (0.48) MAPTPOLBTACR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4846324 0.83 MAPT (0.52) MAPTPOLBTACR1ALDH1A1LMNA
SCHEMBL3135648 0.81 MAPT (0.53) MAPTPOLBTACR1ALDH1A1LMNA

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-1699778-B1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-14 EP disclosed