SCHEMBL8472003

SCHEMBL8472003

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NPY1R P25929 2/20 0.43
LTA4H P09960 4/20 0.38
HTT P42858 2/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR88 Q9GZN0 2/20 0.36
HTR3A P46098 1/20 0.36
LMNA P02545 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
SCHEMBL8477090 0.92 NPY1R (0.40) NPY1RLTA4HHTTKDM4ESMN1; SMN2
SCHEMBL8477078 0.91 HTR2C (0.42) HTR2CHTR2BNPY1RLTA4HKDM4E
SCHEMBL8474898 0.91 EGFR (0.40) HTR2CHTR2BNPY1RCCR5L3MBTL1
SCHEMBL8901044 0.90 NPY1R (0.41) NPY1RLTA4HHTTKDM4ESMN1; SMN2
SCHEMBL8472629 0.89 CACNA2D1 (0.40) NPY1RKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8479145 0.89 HTR2C (0.42) HTR2CHTR2BNPY1RNPC1RAB9A
SCHEMBL8475106 0.85 HTR6 (0.41) HTTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8474453 0.85 LMNA (0.49) HTR2CHTR2BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8472006 0.84 HTT (0.52) NPY1RLTA4HHTTKDM4ENPC1
SCHEMBL8472339 0.83 SMN1; SMN2 (0.40) HTR2CHTR2BKDM4ERAB9ASMN1; SMN2

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