SCHEMBL7943441

SCHEMBL7943441

CCOC(=O)c1cc2c(N3CCN(C)CC3)cccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR1A P08908 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
ESR1 P03372 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7943447 0.82 MCL1 (0.48) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL5005300 0.78 CA12 (0.53) RXFP1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL27378256 0.77 ALOX5 (0.49) RXFP1MAPTALDH1A1KDM4ELMNA
SCHEMBL22042092 0.77 KDM4E (0.50) RXFP1MAPTALDH1A1KDM4ELMNA
SCHEMBL7873379 0.77 ALDH1A1 (0.48) RXFP1MAPTALDH1A1KDM4ELMNA
SCHEMBL7881078 0.76 KMT2A (0.50) RXFP1MAPTALDH1A1KDM4ELMNA
SCHEMBL7881168 0.76 KDM4E (0.49) RXFP1MAPTALDH1A1KDM4ELMNA
SCHEMBL7873678 0.76 KDM4E (0.46) RXFP1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL11186759 0.76 KDM4E (0.58) RXFP1ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL16218016 0.75 KDM4E (0.50) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP claimed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO claimed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed