SCHEMBL8472191

SCHEMBL8472191

CN(C)CCn1c(C(=O)NCCc2ccccn2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
STAT6 P42226 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL8472328 0.94 KCNA5 (0.40) TAS1R3TAS1R1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8583082 0.91 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8472678 0.89 RAB9A (0.40) TAS1R3TAS1R1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8476267 0.87 EGFR (0.46) ALDH1A1LMNATSHRHTTKDM4E
SCHEMBL8476050 0.87 NPY5R (0.47) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8475916 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNATSHRHTT
Hydrochloric Acid SCHEMBL8473318 0.83 MEN1 (0.38) ALDH1A1LMNATSHRHTTKDM4E
SCHEMBL7615354 0.82 DNM1 (0.41) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL8476075 0.82 LMNA (0.46) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8472652 0.82 KDM4E (0.47) ALDH1A1LMNATSHRKDM4EUSP2

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-0782988-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed