SCHEMBL8175656

SCHEMBL8175656

C[C@](CCCN)(COc1ccc2ccccc2c1)N(OC(=O)C(F)(F)F)C(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.36
MC5R P33032 3/20 0.36
MC3R P41968 3/20 0.36
PTPN1 P18031 2/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP2 P50579 1/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ERAP2 Q6P179 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
MTNR1A P48039 2/20 0.32

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
SCHEMBL8184438 0.94 PTPN1 (0.35) MC4RMC5RMC3RPTPN1NPC1
SCHEMBL8175842 0.90 SCN9A (0.32) MC4RMC5RMC3RRAB9ASMN1; SMN2
SCHEMBL8173656 0.89 MC4R (0.35) MC4RMC5RMC3RPTPN1NPC1
SCHEMBL8162352 0.89 MTNR1A (0.36) MC4RMC5RMC3RGAAMAPT
SCHEMBL8169206 0.81 ALOX5 (0.35) MAPTCACNA1B
SCHEMBL8169630 0.78 TRPM8 (0.36) GAATDP1KDM4EALDH1A1ERAP2
SCHEMBL7850398 0.75 POLB (0.44) POLBKMT2A
Trifluoroacetic Acid SCHEMBL7850378 0.74 MC4R (0.47) MC4RMC5RMC3RPTPN1PPARA
SCHEMBL7857056 0.74 POLB (0.34) ERAP2LNPEPPOLB
SCHEMBL7850343 0.73 MC4R (0.42) MC4RMC5RMC3RNPC1GAA

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
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed