SCHEMBL9400929

SCHEMBL9400929

Cn1c(=O)n(CC(O)CN2CCN(c3ncccn3)CC2)c(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
AGER Q15109 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 4/20 0.46
GLA P06280 1/20 0.46
HTR1A P08908 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.43
ABCC1 P33527 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9401037 0.83 HTR1A (0.51) ALDH1A1TSHRHTR1AABCC1
SCHEMBL26806694 0.77 PRMT5 (0.59) AGER
SCHEMBL14692438 0.76 AGER (0.62) LMNAALDH1A1MAPK1HSD17B10AGER
SCHEMBL14768647 0.72 ABCC1 (0.54) ALDH1A1HTR1AABCC1
SCHEMBL9400933 0.72 HTR1A (0.63) MAPTLMNAALDH1A1POLBHPGD
SCHEMBL609364 0.71 LMNA (1.00) MAPTLMNAALDH1A1POLBHPGD
SCHEMBL9401043 0.70 HTR1A (0.52) SMN1; SMN2TSHRHTR1A
SCHEMBL9480350 0.70 HTR1A (0.48) MEN1KMT2AHTR1A
SCHEMBL13875127 0.70 KDM4E (0.56) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6846700 0.70 AGER (0.55) MAPTLMNAALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 EP disclosed