SCHEMBL7985583

SCHEMBL7985583

O=C(NCCCN1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 6/20 0.40
FAAH O00519 1/20 0.40
SMYD2 Q9NRG4 1/20 0.40
DRD4 P21917 1/20 0.39
CHRM4 P08173 1/20 0.39

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
Hydrochloric Acid SCHEMBL7983892 0.99 ALDH1A1 (0.42) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7987161 0.97 SMYD2 (0.42) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7971940 0.97 SMYD2 (0.41) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7972040 0.96 SIGMAR1 (0.40) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7982606 0.95 FAAH (0.39) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7984736 0.94 SMYD2 (0.46) ALDH1A1SMYD2
Hydrochloric Acid SCHEMBL7981574 0.93 SMYD2 (0.45) ALDH1A1SMYD2
SCHEMBL7986609 0.93 DRD3 (0.44) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7981722 0.92 DRD3 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL7972387 0.91 SLC6A2 (0.41) ALDH1A1NPC1HTTRAB9ASMN1; SMN2

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed