SCHEMBL7798331

SCHEMBL7798331

Cc1ccc(C(=O)NC2CCCCC2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
ALDH1A1 P00352 7/20 0.68
TSHR P16473 1/20 0.68
TDP1 Q9NUW8 2/20 0.63
PABPC1 P11940 1/20 0.63
EIF4H Q15056 1/20 0.63
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
CYP1A2 P05177 1/20 0.55

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
SCHEMBL20266307 0.81 ALDH1A1 (1.00) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL8063553 0.77 ALDH1A1 (0.62) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL9538207 0.77 ALDH1A1 (0.64) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL9472381 0.77 HPGD (0.62) HPGDSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL8062369 0.76 ALDH1A1 (0.61) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL6432446 0.76 MITF (0.68) HPGDSMN1; SMN2ALDH1A1TSHRTDP1
SCHEMBL8476030 0.75 HPGD (0.61) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL8062367 0.75 ALDH1A1 (0.59) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL8472168 0.75 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL6486376 0.75 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed