SCHEMBL7951587

SCHEMBL7951587

CN1CCN(c2cccc3[nH]c(-c4nc(Cc5ccc(Cl)cc5)no4)cc23)CC1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.85
SLC6A9 P48067 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
HTR6 P50406 2/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6312814 0.81 SLC6A9 (0.70) OPRL1SLC6A9KCNH2MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7803563 0.71 SLC6A9 (0.68) OPRL1SLC6A9KCNH2HTR6RAB9A
Hydrochloric Acid SCHEMBL7803562 0.71 SLC6A9 (0.68) OPRL1SLC6A9KCNH2HTR6RAB9A
SCHEMBL7951589 0.67 KMT2A (0.51) OPRL1NPC1
SCHEMBL7953606 0.67 OPRL1 (0.50) OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL7813281 0.67 SLC6A9 (0.96) OPRL1SLC6A9KCNH2
SCHEMBL6306617 0.67 OPRL1 (0.59) OPRL1SLC6A9KCNH2MAPK1L3MBTL1
SCHEMBL8780726 0.67 SLC6A9 (0.56) OPRL1SLC6A9KCNH2MAPK1NPC1
SCHEMBL9054446 0.66 HTR1A (0.47) OPRL1MAPK1HTR6HTTKDM4E
SCHEMBL17100793 0.65 HTR6 (0.45) MAPK1L3MBTL1NPC1HTR6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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