SCHEMBL8475760

SCHEMBL8475760

CN(C)CCn1c(C(=O)NC2CCCCCCC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
DVL1 O14640 1/20 0.40
DVL3 Q92997 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8473304 1.00 KDM4E (0.46) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8474427 0.99 KDM4E (0.46) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8472265 0.98 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8472403 0.96 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8472257 0.95 KDM4E (0.42) KDM4ESMN1; SMN2RAB9ANPC1GAA
SCHEMBL8472267 0.94 KDM4E (0.45) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8479395 0.94 ALDH1A1 (0.40) KDM4ESMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL8476064 0.94 KDM4E (0.44) KDM4ESMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8477102 0.91 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2RAB9ANPC1GAA
SCHEMBL8474347 0.90 RAB9A (0.41) KDM4ESMN1; SMN2RAB9ANPC1GAA

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