SCHEMBL27540736

SCHEMBL27540736

COC(=O)c1ccccc1C(N)CN1CCN(c2cccc(OC)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
GFER P55789 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ABCB1 P08183 2/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
IGF1R P08069 1/20 0.50
DRD2 P14416 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 2/20 0.48
CACNA1G O43497 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL27513126 0.91 HTR1A (0.54) HTR1AGFERMEN1KMT2AABCB1
SCHEMBL27514492 0.91 HTR1A (0.62) HTR1AGFERMEN1KMT2AABCB1
SCHEMBL27514798 0.88 HTR1A (0.52) HTR1AGFERMEN1KMT2AABCB1
SCHEMBL27513125 0.81 KCNH2 (0.53) HTR1AGFERMEN1KMT2AMAPT
SCHEMBL6933603 0.81 ADRA1D (0.61) HTR1AABCB1MAPTALDH1A1IGF1R
SCHEMBL27513445 0.80 MAPT (0.53) HTR1AGFERMEN1KMT2AABCB1
SCHEMBL27435293 0.79 MAPT (0.50) HTR1AGFERMEN1KMT2AMAPT
SCHEMBL27537453 0.79 KCNH2 (0.50) HTR1AGFERMEN1KMT2AMAPT
SCHEMBL27460384 0.79 MAPT (0.59) HTR1AGFERMEN1KMT2AMAPT
SCHEMBL27512393 0.77 IGF1R (0.60) HTR1AGFERMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1265654-A 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2000-09-06 CN claimed
CN-1127493-C 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2003-11-12 CN disclosed
CN-1265654-A 1-(N-phenylaminoalkyl)-piperazine derivatives substituted at position 2 of phenyl ring RECORDATI CHEM PHARM (CH) 2000-09-06 CN disclosed