SCHEMBL7149496

SCHEMBL7149496

COc1ccc(N2CCN(CC#N)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.62
HSD17B10 Q99714 2/20 0.57
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.51
HTR2A P28223 1/20 0.51
RAB9A P51151 1/20 0.50
LMNA P02545 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
SCHEMBL14793428 0.84 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1MAPT
SCHEMBL1306444 0.83 KCNH2 (0.65) DRD2ADRB1MAPTALDH1A1KDM4E
SCHEMBL24123590 0.81 MAPT (0.51) DRD2KMT2AMEN1ADRB1MAPT
SCHEMBL29656856 0.80 HTR3E (0.73) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL28599511 0.80 HTR3E (0.73) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL8353109 0.80 DRD2 (0.75) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL9670409 0.78 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL21361433 0.78 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL12789832 0.78 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL6703230 0.78 MAPT (0.61) HSD17B10KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054863-B1 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INT RES (NL) 2003-05-07 EP disclosed
US-6281216-B1 2-aminoquinoline derivatives having d4-agonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-08-28 US disclosed
EP-1054863-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 2000-11-29 EP disclosed
WO-1999040068-A2 2-AMINOQUINOLINE DERIVATIVES HAVING D4-AGONISTIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-08-12 WO disclosed