SCHEMBL7083719

SCHEMBL7083719

c1ccc(CCCN2CCN(CCCc3ccccn3)CC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.53
▸ HRH1 P35367 2/20 0.53
▸ THRB P10828 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5960435 0.93 HRH3 (0.50) POLBSIGMAR1HRH1THRBHRH3
SCHEMBL16026529 0.89 THRB (0.61) HRH1THRBHRH3HSD17B10
SCHEMBL29922137 0.89 THRB (0.61) HRH1THRBHRH3HSD17B10
SCHEMBL19597688 0.89 POLB (0.59) POLBSIGMAR1ALDH1A1L3MBTL1
SCHEMBL5714434 0.89 L3MBTL1 (0.63) POLBSIGMAR1HRH1HRH3ALDH1A1
SCHEMBL29263723 0.86 HRH3 (0.48) POLBSIGMAR1HRH1THRBHRH3
SCHEMBL29263649 0.83 GRIN2B (0.50) POLBSIGMAR1HRH1HRH3ALDH1A1
SCHEMBL12359541 0.82 THRB (0.56) SIGMAR1HRH1THRBHRH3HSD17B10
SCHEMBL868571 0.81 HRH3 (0.56) SIGMAR1HRH1THRBHRH3ALDH1A1
SCHEMBL8648859 0.81 DRD2 (0.68) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 — — EP disclosed
Send feedback