SCHEMBL8448450

SCHEMBL8448450

C1=CN(CCCCCN2C=CCc3ccccc32)c2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
CDK4 P11802 1/20 0.36
ALOX15 P16050 1/20 0.36
CCND1 P24385 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTR7 P34969 5/20 0.33
SLC6A2 P23975 3/20 0.33
HTR1A P08908 3/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
DRD2 P14416 3/20 0.33
CHRM3 P20309 3/20 0.33

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
SCHEMBL9158087 0.92 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL19436608 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL15422618 0.88 DRD2 (0.43) HTR2AALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6248731 0.88 HTR2A (0.37) HTR2AALDH1A1MEN1KMT2AUSP2
SCHEMBL34463863 0.84 CHRM3 (0.35) HTR2AALDH1A1MEN1KMT2AUSP2
SCHEMBL3972975 0.84 ALDH1A1 (0.35) HTR2AALDH1A1MEN1KMT2AUSP2
SCHEMBL3373922 0.84 MEN1 (0.35) HTR2AALDH1A1MEN1KMT2AUSP2
SCHEMBL9008263 0.84 ALDH1A1 (0.42) HTR2AALDH1A1MEN1KMT2AUSP2
SCHEMBL5668159 0.82 MEN1 (0.37) HTR2AALDH1A1MEN1KMT2ALMNA
SCHEMBL3267875 0.81 MAPT (0.35) HTR2AALDH1A1MEN1KMT2AUSP2

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
EP-0675186-B1 Photo-curable liquid crystals ROLIC AG (CH) 1999-01-20 EP disclosed
US-5567349-A Photo cross-linkable liquid crystals HOFFMANN-LA ROCHE INC. (US) 1996-10-22 US disclosed
EP-0675186-A1 Photo-curable liquid crystals F. Hoffmann-La Roche AG (CH) 1995-10-04 EP disclosed