SCHEMBL7772148

SCHEMBL7772148

CN(C)CCOC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
YTHDC1 Q96MU7 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RET P07949 1/20 0.41
LTA4H P09960 1/20 0.41
OPRM1 P35372 3/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL7772151 1.00 KMT2A (0.43) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL29696509 0.92 ADRB2 (0.43) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL23329876 0.85 YTHDC1 (0.43) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL5006779 0.85 YTHDC1 (0.43) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL5009994 0.85 YTHDC1 (0.43) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL26087088 0.84 YTHDC1 (0.47) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL25486005 0.84 YTHDC1 (0.47) KMT2AYTHDC1SLC6A2SLC6A4MEN1
Hydrochloric Acid SCHEMBL21222657 0.84 YTHDC1 (0.42) KMT2AYTHDC1SLC6A2SLC6A4MEN1
Hydrochloric Acid SCHEMBL21222660 0.84 YTHDC1 (0.42) KMT2AYTHDC1SLC6A2SLC6A4MEN1
SCHEMBL15029587 0.84 YTHDC1 (0.44) KMT2AYTHDC1SLC6A2SLC6A4MEN1

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-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 US disclosed