SCHEMBL9527073

SCHEMBL9527073

COc1ccccc1N1CCN(CCCCNc2ccnn(C)c2=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.65
▸ ADRA1A P35348 9/20 0.65
▸ ADRA1D P25100 6/20 0.65
▸ ADRA1B P35368 6/20 0.65
▸ DRD2 P14416 8/20 0.64
▸ DRD3 P35462 5/20 0.64
▸ HTR7 P34969 4/20 0.61
▸ HTR2A P28223 4/20 0.61
▸ HTR6 P50406 3/20 0.61
▸ HRH4 Q9H3N8 1/20 0.59
▸ CYP3A4 P08684 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL9527049 0.99 HTR1A (0.64) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9531299 0.97 ADRA1A (0.69) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9528533 0.93 ADRA1A (0.71) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527827 0.85 HTR1A (0.60) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9528918 0.85 HTR1A (0.59) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527740 0.84 DRD2 (0.64) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527503 0.83 ADRA1A (0.57) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527664 0.83 HTR1A (0.58) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9529034 0.82 ADRA1A (0.56) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL9527001 0.82 ADRA1A (0.63) HTR1AADRA1AADRA1DADRA1BDRD2

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-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 — — EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 — — US disclosed
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 — — EP disclosed
Send feedback