SCHEMBL3979002

SCHEMBL3979002

OCCN1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.63
LMNA P02545 1/20 0.62
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PKM P14618 1/20 0.58
LSS P48449 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CACNA1G O43497 1/20 0.54
MAPT P10636 1/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL8070876 0.95 LSS (0.63) SIGMAR1LMNAALDH1A1KDM4EHPGD
SCHEMBL10921447 0.89 SIGMAR1 (0.59) SIGMAR1LMNAALDH1A1KDM4ELSS
SCHEMBL10502663 0.84 SIGMAR1 (0.68) SIGMAR1ALDH1A1KDM4ELSSMEN1
SCHEMBL5878453 0.83 PKM (0.57) ALDH1A1KDM4EPKMMEN1KMT2A
SCHEMBL16122104 0.83 ALDH1A1 (0.65) LMNAALDH1A1HPGDPKMMEN1
SCHEMBL12504054 0.83 ALDH1A1 (0.65) LMNAALDH1A1KDM4EHPGDPKM
SCHEMBL21550461 0.83 DUSP3 (0.60) LMNAALDH1A1KDM4EHPGDPKM
SCHEMBL17976330 0.83 LMNA (0.68) SIGMAR1LMNAALDH1A1HPGDPKM
Hydrochloric Acid SCHEMBL10503565 0.82 SIGMAR1 (0.66) SIGMAR1ALDH1A1KDM4ELSSMEN1
SCHEMBL10603688 0.82 SIGMAR1 (0.66) SIGMAR1ALDH1A1KDM4ELSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO disclosed
EP-0050396-B1 COUMARIN INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-12-27 EP disclosed
EP-0010392-B1 HETEROCYCLIC COUMARIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES BEECHAM GROUP PLC (GB) 1982-12-29 EP disclosed
EP-0050396-A1 Coumarin intermediates BEECHAM GROUP PLC (GB) 1982-04-28 EP disclosed