SCHEMBL3136880

SCHEMBL3136880

O=C(CN1CCN(c2ccccc2)CC1)N1CCC(CNCc2cccnc2)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TACR1 P25103 3/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 2/20 0.42
CHRM4 P08173 1/20 0.41
HTR1A P08908 2/20 0.41
PHGDH O43175 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
SCHEMBL3129391 0.92 POLB (0.50) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL2808354 0.87 ALDH1A1 (0.44) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3134693 0.86 PHGDH (0.49) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3131744 0.85 KDM4E (0.48) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3132930 0.83 MAPT (0.47) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3129315 0.83 POLB (0.47) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL4844573 0.83 MAPT (0.53) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3129232 0.83 MAPT (0.53) POLBKDM4ETACR1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4846324 0.82 MAPT (0.52) POLBKDM4ETACR1MAPTALDH1A1
SCHEMBL3135648 0.80 MAPT (0.53) POLBKDM4ETACR1MAPTALDH1A1

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