SCHEMBL7579685

SCHEMBL7579685

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CYP2D6 P10635 5/20 0.45
CYP1A2 P05177 4/20 0.45
LMNA P02545 3/20 0.45
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM4 P08173 2/20 0.43
CHRM5 P08912 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4363823 0.84 CHRM2 (0.46) KDM4ECHRM2CHRM1CHRM3ALDH1A1
SCHEMBL27541826 0.73 MEN1 (0.35) CYP1A2LMNACYP3A4MEN1KMT2A
SCHEMBL8588185 0.71 CHRM2 (0.53) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL7579679 0.68 CHRM2 (0.48) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL2424440 0.67 LMNA (0.54) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL147711 0.66 SLC6A2 (0.68) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL16685441 0.66 MEN1 (0.48) LMNASMN1; SMN2MEN1KMT2APOLB
Butetamate SCHEMBL1643343 0.66 KDM4E (0.84) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL8365387 0.66 SIGMAR1 (0.38) KDM4ECHRM2CHRM1CHRM3CYP2D6
SCHEMBL9161407 0.66 LMNA (0.42) CYP1A2LMNACYP3A4MEN1KMT2A

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