SCHEMBL8477366

SCHEMBL8477366

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PTGER4 P35408 1/20 0.43
TOP2A P11388 1/20 0.43
PLA2G2A P14555 1/20 0.41
DNM1 Q05193 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL8478179 0.93 HTR6 (0.44) ALDH1A1POLBCYP1A2HTR6KDM4E
SCHEMBL8474419 0.93 CHRM2 (0.46) ALDH1A1POLBCYP1A2HTR6KDM4E
SCHEMBL8471927 0.92 UTS2R (0.45) ALDH1A1POLBCYP1A2HTR6KDM4E
SCHEMBL8472303 0.92 POLB (0.43) ALDH1A1POLBCYP1A2HTR6KDM4E
SCHEMBL8477212 0.92 TOP2A (0.46) HTR6KDM4EMAPTTOP2ACNR2
SCHEMBL8475829 0.89 PLA2G2A (0.42) ALDH1A1POLBCYP1A2KDM4EMAPT
SCHEMBL8477506 0.88 HTR6 (0.41) ALDH1A1POLBCYP1A2HTR6KDM4E
SCHEMBL8472891 0.88 EGFR (0.45) MAPT
SCHEMBL8476849 0.87 OPRD1 (0.44) ALDH1A1POLBCYP1A2HTR6PTGER4
Hydrochloric Acid SCHEMBL8475839 0.87 PTGER4 (0.44) ALDH1A1POLBCYP1A2HTR6KDM4E

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