SCHEMBL9830834

SCHEMBL9830834

Clc1ccc(N2CCCC2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.68
MAPT P10636 7/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
ALOX12 P18054 1/20 0.66
HTT P42858 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
DHFR P00374 1/20 0.49

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
SCHEMBL7715055 0.98 ADRB1 (0.66) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL2090991 0.83 ADRB1 (0.54) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8264511 0.83 MAPT (0.68) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL5618735 0.83 MAPT (0.67) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL423400 0.81 MAPT (0.65) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL232689 0.81 ADRB1 (1.00) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9864307 0.81 MAPT (0.65) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL8319638 0.81 MAPT (0.65) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1859912 0.81 ADRB1 (0.61) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23843625 0.81 ABCG2 (0.48) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed