SCHEMBL4729385

SCHEMBL4729385

CC1CN(CCCCN2c3ccccc3Sc3ccc(Cl)cc32)CC(C)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
CYP2D6 P10635 5/20 0.65
DRD2 P14416 5/20 0.65
LMNA P02545 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
MAPK1 P28482 5/20 0.65
CYP1A2 P05177 4/20 0.65
HTR1A P08908 4/20 0.65
CYP2C19 P33261 4/20 0.65
TP53 P04637 4/20 0.65
CYP3A4 P08684 4/20 0.65
ADRA2A P08913 4/20 0.65
ADRA2B P18089 4/20 0.65
ADRA2C P18825 4/20 0.65
SLC6A2 P23975 4/20 0.65
HTR2A P28223 4/20 0.65
HTR2C P28335 4/20 0.65
SLC6A4 P31645 4/20 0.65
HRH1 P35367 4/20 0.65
DRD3 P35462 4/20 0.65

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
SCHEMBL11168758 0.87 KDM1A (0.65) MAPTCYP2D6DRD2LMNASMN1; SMN2
SCHEMBL4783514 0.81 KDM1A (0.45) MAPTCYP2D6DRD2LMNASMN1; SMN2
SCHEMBL14292497 0.80 LMNA (0.72) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL29369439 0.79 DRD2 (1.00) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL29358207 0.79 DRD2 (1.00) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL14126977 0.79 DRD2 (1.00) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL18429 0.79 DRD2 (1.00) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL1041250 0.78 DRD2 (0.98) MAPTCYP2D6DRD2LMNASMN1; SMN2
Prochlorperazine SCHEMBL2506559 0.78 DRD2 (0.98) MAPTCYP2D6DRD2LMNASMN1; SMN2
SCHEMBL21436146 0.78 KDM1A (0.79) MAPTCYP2D6DRD2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed