SCHEMBL28784201

SCHEMBL28784201

O=C(C(=CO)c1ccccc1)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
HPGD P15428 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.49
CHRM1 P11229 1/20 0.49
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ABCC1 P33527 1/20 0.40
OPRD1 P41143 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
SCHEMBL27784860 0.87 SIGMAR1 (0.60) SIGMAR1HPGDMEN1KMT2AMAPT
SCHEMBL29063496 0.83 HPGD (0.71) HPGDMEN1KMT2AMAPTCHRM1
SCHEMBL27763342 0.83 SIGMAR1 (0.55) SIGMAR1HPGDMEN1KMT2AMAPT
SCHEMBL27784859 0.81 SIGMAR1 (0.53) SIGMAR1HPGDMEN1KMT2AMAPT
SCHEMBL7837595 0.80 SIGMAR1 (0.68) SIGMAR1HPGDALDH1A1POLBUSP2
Formic Acid SCHEMBL7986200 0.77 SIGMAR1 (0.86) SIGMAR1HPGDALDH1A1POLBUSP2
SCHEMBL894920 0.75 SIGMAR1 (1.00) SIGMAR1HPGDALDH1A1POLBUSP2
SCHEMBL28393 0.75 SIGMAR1 (1.00) SIGMAR1HPGDALDH1A1POLBUSP2
Hydrochloric Acid SCHEMBL1597474 0.74 SIGMAR1 (0.96) SIGMAR1HPGDALDH1A1POLBUSP2
Piperazine SCHEMBL28228981 0.74 SIGMAR1 (0.96) SIGMAR1HPGDALDH1A1POLBUSP2

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
CN-101591311-A 1-(3-phenyl acryloyl) bridged piperazine derivatives and preparation method thereof UNIV HEBEI TECHNOLOGY (CN) 2009-12-02 CN claimed
CN-101591311-A 1-(3-phenyl acryloyl) bridged piperazine derivatives and preparation method thereof UNIV HEBEI TECHNOLOGY (CN) 2009-12-02 CN disclosed