SCHEMBL7972040

SCHEMBL7972040

O=C(NCCN1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 1/20 0.39
CHRM4 P08173 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38

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 SCHEMBL7982606 0.99 FAAH (0.39) SIGMAR1FAAHNPC1HTTRAB9A
SCHEMBL7985583 0.96 ALDH1A1 (0.43) SIGMAR1FAAHNPC1HTTRAB9A
Hydrochloric Acid SCHEMBL7983892 0.95 ALDH1A1 (0.42) SIGMAR1FAAHNPC1HTTRAB9A
SCHEMBL7987161 0.94 SMYD2 (0.42) SIGMAR1FAAHNPC1HTTRAB9A
Hydrochloric Acid SCHEMBL7971940 0.93 SMYD2 (0.41) SIGMAR1FAAHNPC1HTTRAB9A
SCHEMBL7984736 0.90 SMYD2 (0.46) ALDH1A1KDM4E
SCHEMBL7989522 0.90 CHRM4 (0.53) DRD4CHRM4
Hydrochloric Acid SCHEMBL7981574 0.90 SMYD2 (0.45) ALDH1A1KDM4E
SCHEMBL7973164 0.90 SIGMAR1 (0.49) SIGMAR1FAAHALDH1A1KDM4EALOX15
SCHEMBL7986609 0.89 DRD3 (0.44) SMN1; SMN2ALDH1A1

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