SCHEMBL7934360

SCHEMBL7934360

c1ccc(N2CCNCCNCC2)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.95
HTR3E A5X5Y0 5/20 0.95
HTR3B O95264 5/20 0.95
HTR3A P46098 5/20 0.95
HTR3D Q70Z44 5/20 0.95
HTR3C Q8WXA8 5/20 0.95
SIGMAR1 Q99720 5/20 0.95
HTR1A P08908 2/20 0.66
HTR7 P34969 2/20 0.66
LTA4H P09960 1/20 0.66
USP2 O75604 2/20 0.62
CYP2D6 P10635 2/20 0.62
HTR6 P50406 3/20 0.61
TSHR P16473 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTR2C P28335 2/20 0.59
ADRB2 P07550 1/20 0.59
NCF1 P14598 1/20 0.59
PLD1 Q13393 1/20 0.59

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
Phenylpiperazine SCHEMBL27450129 1.00 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17423645 1.00 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL27858598 0.98 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL24889 0.98 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL29135595 0.98 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL55125 0.98 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL15327472 0.95 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL11728031 0.95 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17431870 0.95 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL212247 0.95 ADRB1 (0.95) ADRB1HTR3EHTR3BHTR3AHTR3D

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
US-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US disclosed
EP-0816387-A1 Olefin-polymerizing catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-07 EP disclosed