SCHEMBL8716688

SCHEMBL8716688

O=[C]N(C(=O)c1c[nH]c2ccccc12)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.46
PBRM1 Q86U86 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.45
GFER P55789 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 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
SCHEMBL8715002 0.78 SIGMAR1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1144650 0.75 GFER (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3994500 0.73 POLB (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Piperazine SCHEMBL7073764 0.73 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8714113 0.72 HRH4 (0.60) POLBALDH1A1KDM4EMAPK1
SCHEMBL8307403 0.71 ALDH1A1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3449612 0.70 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8713369 0.70 OPRD1 (0.49) ALDH1A1KMT2AKDM4ELMNAGABRA1
SCHEMBL6484953 0.70 PBRM1 (0.66) GPR84ALDH1A1PBRM1ATMKMT2A
SCHEMBL29557695 0.70 PBRM1 (0.66) GPR84ALDH1A1PBRM1ATMKMT2A

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-0822939-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
WO-1996034012-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed