SCHEMBL3261999

SCHEMBL3261999

CCCCCC1CCCCN1CCCC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.68
S1PR3 Q99500 3/20 0.68
S1PR5 Q9H228 3/20 0.68
S1PR4 O95977 1/20 0.55
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
OPRD1 P41143 1/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
GBA2 Q9HCG7 2/20 0.37

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
SCHEMBL3802751 0.96 S1PR1 (0.68) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL7029045 0.95 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL27602528 0.95 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL27959074 0.95 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL28663946 0.95 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL27959059 0.95 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL24799744 0.94 S1PR1 (0.68) S1PR1S1PR3S1PR5S1PR4CHRNB2
SCHEMBL7029673 0.94 S1PR1 (0.61) S1PR1S1PR3S1PR5S1PR4CHRNB2
Hydrochloric Acid SCHEMBL10335558 0.93 S1PR1 (0.69) S1PR1S1PR3S1PR5S1PR4CHRNB2
Fluoride SCHEMBL29251951 0.93 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4CHRNB2

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
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