SCHEMBL5201106

SCHEMBL5201106

CCC(C)[C@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
LTA4H P09960 1/20 0.46
TACR1 P25103 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
MC4R P32245 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 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
SCHEMBL14085915 0.87 SIGMAR1 (0.51) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL1189622 0.87 SIGMAR1 (0.51) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL310284 0.87 SIGMAR1 (0.51) SIGMAR1LTA4HTACR1KDM4EMEN1
Hydrochloric Acid SCHEMBL11446780 0.84 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL29289212 0.84 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL10675682 0.84 SIGMAR1 (0.49) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL6335455 0.83 TACR1 (0.55) SIGMAR1LTA4HTACR1KDM4EACHE
SCHEMBL6335458 0.83 TACR1 (0.55) SIGMAR1LTA4HTACR1KDM4EACHE
SCHEMBL3494925 0.82 SIGMAR1 (0.46) SIGMAR1LTA4HTACR1KDM4EMEN1
SCHEMBL16026440 0.82 SIGMAR1 (0.46) SIGMAR1LTA4HTACR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
CN-1309720-C Piperazine compounds KOWA CO (JP) 2007-04-11 CN disclosed
CN-1520408-A Piperazine compounds ������������ʽ���� 2004-08-11 CN disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed