SCHEMBL7579679

SCHEMBL7579679

CCC(OCCN(CC)CC)C(CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.48
CHRM1 P11229 4/20 0.48
CHRM3 P20309 4/20 0.48
CHRM4 P08173 2/20 0.46
CHRM5 P08912 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 4/20 0.43
LMNA P02545 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
SCN1A P35498 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL702333 0.73 KCNH2 (0.44) LMNAKCNH2ALDH1A1
SCHEMBL7579693 0.72 KCNH2 (0.45) KDM4ECYP2B6KCNH2
SCHEMBL2424440 0.70 LMNA (0.54) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL147711 0.69 SLC6A2 (0.68) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL317556 0.68 LMNA (0.69) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8588185 0.68 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL7570154 0.68 LMNA (0.55) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL7579685 0.68 KDM4E (0.45) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8579171 0.67 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL4454908 0.66 GRIN1 (0.43) MEN1KMT2ALMNAKCNH2

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-20020091139-A1 Treatment and delivery of hydroxychloroquine DAMON TODD HOLDINGS, L.L.C. 2002-07-11 US disclosed