SCHEMBL7966100

SCHEMBL7966100

Ic1ccc2c(C3CCNCC3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
ACHE P22303 2/20 0.42
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRM4 Q14833 5/20 0.39
CYP1A2 P05177 3/20 0.39
LCK P06239 2/20 0.38
MAP2K1 Q02750 2/20 0.38
CSF1R P07333 1/20 0.38
SCD O00767 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL8237364 0.84 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL15487431 0.82 MAPK14 (0.49) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL461287 0.82 ACHE (0.61) ACHEDRD2SLC6A4SCDHTR2A
SCHEMBL470707 0.82 MAPK14 (0.52) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL3523366 0.82 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4GRM4
SCHEMBL1545681 0.82 MAPK14 (0.47) MAPK14ACHEDRD2SLC6A4HTR2A
Hydrochloric Acid SCHEMBL531052 0.81 ACHE (0.60) ACHEDRD2SLC6A4SCDHTR2A
Hydrochloric Acid SCHEMBL15486032 0.81 MAPK14 (0.48) MAPK14ACHEDRD2SLC6A4GRM4
Hydrochloric Acid SCHEMBL607480 0.81 MAPK14 (0.46) MAPK14ACHEHTR2AHTR7
SCHEMBL13201170 0.79 HTR2C (0.48) MAPK14ACHEDRD2SLC6A4HTR2A

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed