SCHEMBL8475771

SCHEMBL8475771

O=C(NCCCN1CCCC1=O)c1c(C(c2ccccc2)c2ccc(OCCC3CCCN3)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.40
RCE1 Q9Y256 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
CREBBP Q92793 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.38
TYRO3 Q06418 2/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL8472339 0.94 SMN1; SMN2 (0.40) SMN1; SMN2LMNARCE1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8474659 0.91 KDM4E (0.41) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8477348 0.88 GPR88 (0.41) SMN1; SMN2LMNAMAPK1RAB9AKMT2A
SCHEMBL8475772 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNARCE1KDM4EALDH1A1
SCHEMBL8472240 0.85 SMN1; SMN2 (0.42) SMN1; SMN2LMNARCE1KDM4EALDH1A1
SCHEMBL8473410 0.84 MAPK1 (0.43) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL8472268 0.83 MAPK1 (0.38) SMN1; SMN2KDM4EALDH1A1MAPK1RXFP1
SCHEMBL8477090 0.83 NPY1R (0.40) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL8476307 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNARCE1KDM4EALDH1A1
SCHEMBL8474453 0.82 LMNA (0.49) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A

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