SCHEMBL7835119

SCHEMBL7835119

Cc1ccc2[nH]c(CCCCl)c(C=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL7835174 0.86 MAPT (0.42) MAPTHTTHSD17B10TSHRKDM4E
SCHEMBL7834309 0.84 AHR (0.51) MAPTALDH1A1HPGDALOX15MEN1
SCHEMBL7834261 0.83 ALDH1A1 (0.46) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7835647 0.83 AHR (0.53) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7836059 0.80 AHR (0.54) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7837899 0.79 AHR (0.52) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7834834 0.78 AHR (0.51) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL7836031 0.77 PDE7A (0.36) AHR
SCHEMBL7836341 0.75 MAOA (0.53) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL24522294 0.74 KDM4E (0.46) MAPTHSD17B10KDM4EALDH1A1HPGD

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
EP-1109813-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012510-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed