SCHEMBL6181302

SCHEMBL6181302

O=c1[nH]ncc(NCCN2CCN(c3ccc(F)cc3)CC2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
HRH1 P35367 1/20 0.55
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
HTR1A P08908 2/20 0.43
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.42

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
SCHEMBL6179970 0.89 PKM (0.59) DRD2HTR2AHRH1PKMLMNA
SCHEMBL6181230 0.83 PKM (0.52) DRD2HTR2AHRH1PKMMAPT
SCHEMBL9528853 0.81 KAT2B (0.60) DRD2HTR2AHRH1TP53
SCHEMBL14739433 0.81 CNR1 (0.52) HTR2APKMMAPTLMNASIGMAR1
SCHEMBL6181546 0.80 PKM (0.50) HTR2APKMMAPTLMNAHTR1A
SCHEMBL6184467 0.78 PKM (0.52) DRD2HTR2APKMHTR1ADRD3
SCHEMBL5926252 0.78 HTR2A (0.53) DRD2HTR2AHRH1MAPTLMNA
SCHEMBL9527442 0.78 HTR1A (0.60) DRD2HTR1APOLBKMT2A
SCHEMBL9527777 0.75 KAT2B (0.57) DRD2HTR2AHRH1MAPTLMNA
SCHEMBL5926111 0.75 LMNA (0.44) DRD2HTR2AHRH1PKMMAPT

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-1430034-B1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2005-02-09 EP disclosed
EP-1430034-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 EP disclosed
WO-2003027078-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 WO disclosed