SCHEMBL8644571

SCHEMBL8644571

CCN(CC)CCC(c1ccccc1)N1C(=O)c2ccccc2C(OC(=O)/C=C/C(=O)OC2c3ccccc3C(=O)N(C(CCN(CC)CC)c3ccccc3)S2(=O)=O)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA5 P22460 1/20 0.33
MAOB P27338 3/20 0.33
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
TSHR P16473 2/20 0.32
CHRM3 P20309 2/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
P4HB P07237 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL8643282 0.79 L3MBTL1 (0.43) LMNACYP2D6MAPTALDH1A1ACHE
SCHEMBL8788519 0.73 ALDH1A1 (0.43) LMNACYP2D6MAPTALDH1A1MAOB
Fumaric Acid SCHEMBL8644566 0.72 MEN1 (0.38) LMNACYP1A2CYP2D6MAPTCYP3A4
Fumaric Acid SCHEMBL8644575 0.72 MEN1 (0.38) LMNACYP1A2CYP2D6MAPTCYP3A4
SCHEMBL8649409 0.70 MC4R (0.41) LMNACYP1A2CYP2D6MAPTMAOB
SCHEMBL8649404 0.66 SMN1; SMN2 (0.40) LMNACYP2D6MAPTALDH1A1SMN1; SMN2
SCHEMBL8787716 0.64 L3MBTL1 (0.40) LMNACYP2D6MAPTCYP3A4ALDH1A1
Fumaric Acid SCHEMBL11709158 0.62 ALDH1A1 (0.47) LMNACYP1A2CYP2D6MAPTCYP3A4
Fumaric Acid SCHEMBL11709154 0.62 ALDH1A1 (0.47) LMNACYP1A2CYP2D6MAPTCYP3A4
SCHEMBL8646569 0.61 TDP1 (0.43) LMNACYP1A2CYP2D6MAOBACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed