SCHEMBL8445235

SCHEMBL8445235

O=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 1.00
ALDH1A1 P00352 5/20 0.67
HTT P42858 2/20 0.67
MAPK14 Q16539 1/20 0.67
MEN1 O00255 1/20 0.63
USP2 O75604 1/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPT P10636 1/20 0.60
LMNA P02545 2/20 0.56
AVPR1A P37288 2/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDM4E B2RXH2 1/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
POLB P06746 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL23259093 0.91 GFER (0.83) GFERALDH1A1HTTMAPK14MEN1
SCHEMBL24358707 0.90 GFER (0.81) GFERALDH1A1HTTMAPK14MEN1
SCHEMBL27327850 0.87 GFER (0.77) GFERALDH1A1HTTMAPK14MEN1
SCHEMBL8442556 0.85 GFER (0.73) GFERALDH1A1HTTMAPK14USP2
SCHEMBL615956 0.85 AVPR1A (0.77) GFERALDH1A1HTTMAPK14MEN1
SCHEMBL7809783 0.83 GFER (0.70) GFERALDH1A1HTTMAPK14MEN1
SCHEMBL20181880 0.83 ALDH1A1 (0.75) GFERALDH1A1HTTMAPK14USP2
SCHEMBL9410743 0.83 GFER (0.71) GFERALDH1A1HTTMAPK14KMT2A
SCHEMBL948677 0.83 GFER (0.71) GFERALDH1A1HTTMAPK14LMNA
SCHEMBL27304741 0.83 GFER (0.70) GFERALDH1A1HTTMAPK14AVPR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922042-A1 NOVEL PIPERAZINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-16 EP disclosed
WO-1998006715-A1 NOVEL PIPERAZINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed