SCHEMBL12096971

SCHEMBL12096971

CCO[SiH](OCC)OCC.c1ccc(C2CNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CCR5 P51681 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
DRD2 P14416 1/20 0.37
ESRRG P62508 2/20 0.36
ESRRB O95718 1/20 0.36
SLC6A4 P31645 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL28280032 0.81 DRD2 (0.45) SLC18A3SIGMAR1DRD2
SCHEMBL23199875 0.80 SLC18A3 (0.44) SLC18A3SIGMAR1CHRNB4CHRNA3CCR5
SCHEMBL233570 0.79 SLC18A3 (0.58) SLC18A3SIGMAR1CHRNB4CHRNA3CCR5
Hydrochloric Acid SCHEMBL557175 0.77 SLC18A3 (0.56) SLC18A3SIGMAR1CHRNB4CHRNA3CCR5
Heptane SCHEMBL28052391 0.75 ALDH1A1 (0.44) SLC18A3SIGMAR1CHRNB4CHRNA3CCR5
Benzylamine SCHEMBL25243600 0.72 LOXL2 (0.40) SLC6A4
Butyric Acid SCHEMBL28247624 0.71 FFAR3 (0.43) SLC18A3SIGMAR1PKMDRD2ESRRG
SCHEMBL14066566 0.71 SLC18A3 (0.60) SLC18A3SIGMAR1CHRNB4CHRNA3DRD2
SCHEMBL10505554 0.71 SLC18A3 (0.54) SLC18A3SIGMAR1CHRNB4CHRNA3CCR5
Biphenyl SCHEMBL3480054 0.71 ALDH1A1 (0.45) CHRNB4CHRNA3MAPTSLC6A4

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
US-20120228782-A1 METHOD FOR MANUFACTURING ELECTRONIC DEVICE, ELECTRONIC DEVICE, METHOD FOR MANUFACTURING ELECTRONIC DEVICE PACKAGE AND ELECTRONIC DEVICE PACKAGE Sumitomo Bakelite Co, Ltd (JP) 2012-09-13 US disclosed