SCHEMBL9029265

SCHEMBL9029265

Cc1cccc(C(=O)N2CCNCC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
HRH4 Q9H3N8 1/20 0.55
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
HTT P42858 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
HSD11B1 P28845 1/20 0.51
ADRB1 P08588 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5180736 0.87 HTT (0.70) RXFP1HRH4HTTSIGMAR1HSD11B1
SCHEMBL31520498 0.87 HTT (0.70) RXFP1HRH4HTTSIGMAR1HSD11B1
SCHEMBL12845076 0.86 RXFP1 (0.56) RXFP1HRH4HTTSIGMAR1KDM4E
Hydrochloric Acid SCHEMBL5180774 0.85 HTT (0.68) RXFP1HRH4HTTSIGMAR1HSD11B1
SCHEMBL12569384 0.85 HTT (0.67) FNTAFNTBHTTHSD11B1LMNA
SCHEMBL12569630 0.85 HTT (0.72) FNTAFNTBHTTHSD11B1LMNA
SCHEMBL29432644 0.84 HPGD (0.55) RXFP1HRH4HTTSIGMAR1HSD11B1
SCHEMBL29816719 0.83 HTT (0.65) FNTAFNTBHTTLMNAKDM4E
SCHEMBL8574260 0.82 HTT (0.58) FNTAFNTBHTTHSD11B1LMNA
SCHEMBL14174296 0.82 HTT (0.58) HRH4FNTAFNTBHTTHSD11B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703905-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-04-03 EP disclosed