SCHEMBL6977860

SCHEMBL6977860

CC(C)N1Cc2cc([S+](C)[O-])ccc2N(CCN2CC=C(c3c[nH]c4ccccc34)CC2)S1(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
ALOX15 P16050 4/20 0.47
HTR2A P28223 4/20 0.47
SLC6A4 P31645 3/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6981298 0.91 SLC6A4 (0.58) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL6984286 0.91 SLC6A4 (0.51) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL8317286 0.82 SLC6A4 (0.65) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL8315402 0.81 SLC6A4 (0.68) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL8317283 0.79 SLC6A4 (0.60) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL8312784 0.79 SLC6A4 (0.60) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL6982122 0.78 SLC6A4 (0.48) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL2877415 0.78 SLC6A4 (0.58) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL6981094 0.78 SLC6A4 (0.58) KDM4ELMNAALOX15HTR2ASLC6A4
SCHEMBL6975000 0.78 SLC6A4 (0.54) KDM4ELMNAALOX15HTR2ASLC6A4

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-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed