SCHEMBL3229092

SCHEMBL3229092

CCCCCC1(CCCCC)CCCCN1CCCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
S1PR4 O95977 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL5585691 0.91 SIGMAR1 (0.31) HSD11B1HSD11B2SIGMAR1
SCHEMBL5585942 0.85 S1PR1 (0.30) S1PR1S1PR3S1PR5
SCHEMBL5585326 0.81 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL3160031 0.81 HSD11B1 (0.33) HSD11B1HSD11B2S1PR1S1PR3S1PR5
SCHEMBL5671355 0.81 SIRT2 (0.37) S1PR1S1PR3S1PR5OPRM1OPRD1
SCHEMBL15557803 0.81 SIRT2 (0.37) S1PR1S1PR3S1PR5OPRM1OPRD1
SCHEMBL23251421 0.79 S1PR1 (0.31) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL25758816 0.78 MAPT (0.39) L3MBTL1
SCHEMBL5586058 0.78
SCHEMBL5586003 0.78

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
US-20100178333-A1 SUSTAINED RELEASE DOSAGE FORM OF PHENOTHIAZINE DERIVATIVES CONTAINING CHANNELIZER ASTRON RESEARCH LIMITED (IN) 2010-07-15 US disclosed
EP-1976487-A2 SUSTAINED RELEASE DOSAGE FORM OF PHENOTHIAZINE DERIVATIVES CONTAINING CHANNELIZER Astron Research Limited (IN) 2008-10-08 EP disclosed
WO-2007086079-A2 SUSTAINED RELEASE DOSAGE FORM OF PHENOTHIAZINE DERIVATIVES CONTAINING CHANNELIZER ASTRON RESEARCH LIMITED (IN) 2007-08-02 WO disclosed
US-4933346-A CARDIOVASCULAR AND CEREBROVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
US-4918073-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed