SCHEMBL7848664

SCHEMBL7848664

NC(=O)C(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 3/20 0.61
MC1R Q01726 3/20 0.61
TACR1 P25103 3/20 0.55
ECE1 P42892 2/20 0.49
HPGDS O60760 2/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ERAP2 Q6P179 1/20 0.47
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KCNT1 Q5JUK3 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MPO P05164 1/20 0.45

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
SCHEMBL7062961 0.83 TACR1 (0.76) TACR1ECE1MEN1KMT2A
SCHEMBL7846982 0.83 BRS3 (0.60) TACR1MAPTMEN1KMT2ANPC1
SCHEMBL7064065 0.81 TACR1 (0.68) TACR1ECE1MAPTSMN1; SMN2HTT
SCHEMBL7067777 0.81 TACR1 (0.67) TACR1ECE1
SCHEMBL29459408 0.80 MC5R (0.84) MC5RMC1RECE1HPGDSKMT2A
SCHEMBL27923213 0.79 KCNT1 (0.66) MC5RMC1RECE1MAPTMEN1
SCHEMBL901464 0.79 KCNT1 (0.66) MC5RMC1RECE1MAPTMEN1
SCHEMBL7848668 0.78 MAOB (0.46) MC5RMC1RTACR1MAPTMEN1
SCHEMBL1711017 0.76 ERAP2 (0.66) MAPTPOLBERAP2HPGDMAPK1
SCHEMBL29519692 0.76 MC5R (1.00) MC5RMC1RKCNT1KDM4EMC4R

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-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed