SCHEMBL8548440

SCHEMBL8548440

CC(C)c1cccc(NC(=O)Nc2ccc3scc(C4CCN(C(C)C)CC4)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
KDR P35968 2/20 0.38
EPHB4 P54760 2/20 0.38
TEK Q02763 2/20 0.38
PDGFRB P09619 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
FLT3 P36888 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGER3 P43115 1/20 0.35
NTRK1 P04629 1/20 0.35
FADS1 O60427 1/20 0.35
ACKR3 P25106 1/20 0.35
IDH2 P48735 1/20 0.35

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
SCHEMBL8550771 0.86 ALDH1A1 (0.40) CA2ALDH1A1MEN1KMT2AEPHX2
SCHEMBL8548755 0.81 CA2 (0.43) CA2ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7489588 0.81 HTR1D (0.56) DRD2
SCHEMBL8704365 0.80 DRD2 (0.42) ALDH1A1MEN1KMT2AEPHX2UBE2M
SCHEMBL8708863 0.80 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8703840 0.79 UBE2M (0.44) UBE2MDCUN1D1
SCHEMBL8551242 0.78 MEN1 (0.43) MEN1KMT2A
SCHEMBL8548444 0.78 ALDH1A1 (0.39) ALDH1A1UBE2MDCUN1D1DRD2SLC6A4
SCHEMBL8552303 0.77 RAB9A (0.43)
SCHEMBL8547892 0.76 HTR1D (0.46)

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed