SCHEMBL8474453

SCHEMBL8474453

O=C(NCCCN1CCOCC1)c1c(C(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1CCC1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
TACR2 P21452 9/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
EGFR P00533 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8472211 0.92 KDM4E (0.45) LMNATACR2KDM4EALDH1A1GAA
SCHEMBL8476841 0.91 KDM4E (0.42) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL8479145 0.90 HTR2C (0.42) LMNAKMT2AHTR2CHTR2BSMN1; SMN2
SCHEMBL8472339 0.89 SMN1; SMN2 (0.40) LMNAMAPTPKMKDM4EALDH1A1
SCHEMBL8474454 0.89 LMNA (0.53) LMNAMAPTPKMTACR2KDM4E
SCHEMBL8472594 0.88 KDM4E (0.44) LMNAKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL8474450 0.86 LMNA (0.47) LMNAMAPTPKMTACR2KDM4E
SCHEMBL8477078 0.86 HTR2C (0.42) KDM4EHTR2CHTR2B
SCHEMBL8472003 0.85 HTR2C (0.43) LMNAKDM4EALDH1A1HTR2CHTR2B
SCHEMBL8477279 0.85 LMNA (0.51) LMNAMAPTPKMTACR2KDM4E

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