SCHEMBL8479146

SCHEMBL8479146

CCCNC(=O)c1c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1CCN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 2/20 0.43
NPY1R P25929 1/20 0.43
MCHR1 Q99705 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.41
CHRM4 P08173 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL8477351 0.92 HRH3 (0.48) HTTKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL8477079 0.90 HTT (0.48) HTTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8474454 0.89 LMNA (0.53) HTTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8474181 0.89 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8476318 0.88 KDM4E (0.50) KDM4ERAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8472561 0.88 HDAC3 (0.41) EGFRLTA4HCHRM4HDAC3HDAC1
SCHEMBL8472006 0.87 HTT (0.52) HTTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8479145 0.87 HTR2C (0.42) NPC1RAB9ASMN1; SMN2L3MBTL1NPY1R
SCHEMBL8472345 0.86 SMN1; SMN2 (0.45) HTTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8474896 0.86 EGFR (0.47) HTTKDM4ENPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed