SCHEMBL9514633

SCHEMBL9514633

O=C(c1cccc(Cl)c1)N1CCN(CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.80
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
THRB P10828 2/20 0.66
KCNH2 Q12809 1/20 0.63
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 3/20 0.57
ADRB2 P07550 1/20 0.56
MGLL Q99685 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.54
HTR2A P28223 1/20 0.54
KCNA5 P22460 1/20 0.53

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
Hydrochloric Acid SCHEMBL9513006 0.99 LMNA (0.78) LMNAMEN1KMT2ATHRBKCNH2
SCHEMBL9513169 0.89 LMNA (0.65) LMNAMEN1KMT2ATHRBKCNH2
SCHEMBL9515612 0.88 THRB (0.68) LMNAMEN1KMT2ATHRBKCNH2
Hydrochloric Acid SCHEMBL9512934 0.88 LMNA (0.64) LMNAMEN1KMT2ATHRBKCNH2
Hydrochloric Acid SCHEMBL9516717 0.87 THRB (0.67) LMNAMEN1KMT2ATHRBKCNH2
SCHEMBL9513241 0.86 THRB (0.82) LMNAMEN1KMT2ATHRBKCNH2
SCHEMBL9514284 0.86 LMNA (0.61) LMNAMEN1KMT2ATHRBKCNH2
SCHEMBL9513026 0.86 WNK1 (0.64) LMNAMEN1KMT2ATHRBKDM4E
SCHEMBL9513036 0.86 LMNA (0.61) LMNAMEN1KMT2ATHRBKCNH2
Hydrochloric Acid SCHEMBL9513192 0.85 WNK1 (0.63) LMNAMEN1KMT2ATHRBKDM4E

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-0250361-B1 Disubstituted piperazines CIBA GEIGY AG (CH) 1993-12-08 EP claimed
EP-0250361-A2 Disubstituted piperazines CIBA-GEIGY AG (CH) 1987-12-23 EP claimed