SCHEMBL9810092

SCHEMBL9810092

CN1Cc2c(N)cccc2C(c2ccc(Cl)cc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.77
SLC6A3 Q01959 13/20 0.77
SLC6A4 P31645 12/20 0.77
LMNA P02545 2/20 0.77
MAPK1 P28482 2/20 0.77
RGS12 O14924 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
ALOX12 P18054 1/20 0.77
NFKB1 P19838 1/20 0.77
HTR2A P28223 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
HRH1 P35367 1/20 0.77
OPRM1 P35372 1/20 0.77
GNAI1 P63096 1/20 0.77
KCNH2 Q12809 1/20 0.77
MEN1 O00255 1/20 0.64
GLA P06280 1/20 0.64

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
SCHEMBL11013456 0.87 SLC6A2 (0.79) SLC6A2SLC6A3SLC6A4LMNAMAPK1
Nomifensine SCHEMBL29355061 0.87 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4LMNAMAPK1
Nomifensine SCHEMBL125020 0.87 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4LMNAMAPK1
Nomifensine SCHEMBL49380 0.87 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4LMNAMAPK1
SCHEMBL4028803 0.86 SLC6A2 (0.75) SLC6A2SLC6A3SLC6A4LMNAMAPK1
SCHEMBL4035368 0.86 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4LMNAMAPK1
Nomifensine SCHEMBL11082568 0.86 SLC6A2 (0.97) SLC6A2SLC6A3SLC6A4LMNAMAPK1
SCHEMBL4033299 0.85 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4LMNAMAPK1
Bromide SCHEMBL11267146 0.85 SLC6A2 (0.75) SLC6A2SLC6A3SLC6A4LMNAMAPK1
SCHEMBL5298428 0.84 SLC6A2 (0.79) SLC6A2SLC6A3SLC6A4LMNAMAPK1

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-0314828-B1 4-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLINS AS ULCER AGENTS S O "PHARMACHIM" (BG) 1991-05-29 EP disclosed
EP-0314828-A1 4-Phenyl-1,2,3,4-tetrahydroisoquinolins as ulcer agents S O "PHARMACHIM" (BG) 1989-05-10 EP disclosed
US-4537895-A 4-PHENYL, 8-CARBONYLAMINO DERIVATIVES FOR CENTRAL NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1985-08-27 US disclosed