SCHEMBL3129391

SCHEMBL3129391

O=C(CN1CCN(c2ccccc2)CC1)N1CCC(CNCc2ccncc2)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
MAPT P10636 6/20 0.47
TACR1 P25103 4/20 0.46
ALDH1A1 P00352 5/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL3136880 0.92 POLB (0.49) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL3134693 0.88 PHGDH (0.49) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL3131744 0.88 KDM4E (0.48) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL3132930 0.87 MAPT (0.47) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL2808354 0.86 ALDH1A1 (0.44) POLBMAPTTACR1ALDH1A1SMN1; SMN2
SCHEMBL3129315 0.85 POLB (0.47) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL4844573 0.85 MAPT (0.53) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL3129232 0.85 MAPT (0.53) POLBMAPTTACR1ALDH1A1DRD2
Hydrochloric Acid SCHEMBL4846324 0.84 MAPT (0.52) POLBMAPTTACR1ALDH1A1DRD2
SCHEMBL3135648 0.82 MAPT (0.53) POLBMAPTTACR1ALDH1A1DRD2

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