SCHEMBL7533063

SCHEMBL7533063

O=C1c2ccc(F)cc2CCN1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.67
DRD2 P14416 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
HRH3 Q9Y5N1 7/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
ACHE P22303 1/20 0.47
PER2 O15055 1/20 0.46
CRY2 Q49AN0 1/20 0.46

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
SCHEMBL5284549 0.84 MAPK14 (0.58) GRM5
SCHEMBL25260183 0.84 LMNA (0.64) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL3054839 0.83 GRM5 (0.67) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL5946819 0.83 GRM5 (0.67) GRM5HRH3ACHE
SCHEMBL12559545 0.83 GRM5 (0.67) GRM5LMNASMN1; SMN2HRH3HTT
SCHEMBL29438631 0.83 GRM5 (0.67) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL5946784 0.83 GRM5 (0.67) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL8161846 0.83 HRH3 (0.67) GRM5DRD2HRH3DRD4DRD3
SCHEMBL29438656 0.83 LMNA (0.60) GRM5DRD2LMNASMN1; SMN2L3MBTL1
SCHEMBL3372347 0.82 GRM5 (0.52) GRM5LMNASMN1; SMN2L3MBTL1NCOA3

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
EP-1252161-A1 PYRROLO-ISOQUINOLINE AND TETRAHYDROPYRROLO-ISOQUINOLINE DERIVATIVES AND THEIR USE AS MEDIATORS OF THE 5-HT7 RECEPTOR Wyeth (US) 2002-10-30 EP disclosed
US-6432974-B1 CIRCADIAN RHYTHYM, SLEEP, SEXUAL, NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; DRUG ABUSE, DRUG DEPENDENCE, AND SCHIZOPHRENIA TREATMENT WYETH 2002-08-13 US disclosed
WO-2001057039-A1 PYRROLO-ISOQUINOLINE AND TETRAHYDROPYRROLO-ISOQUINOLINE DERIVATIVES AND THEIR USE AS MEDIATORS OF THE 5-HT7 RECEPTOR WYETH (US) 2001-08-09 WO disclosed