SCHEMBL9532108

SCHEMBL9532108

COc1ccc(C)cc1N1CCN(CCNc2cnn(C)c(=O)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 12/20 0.55
ADRA1D P25100 11/20 0.55
ADRA1A P35348 11/20 0.55
HTR1A P08908 9/20 0.55
BRD4 O60885 3/20 0.48
BRD9 Q9H8M2 3/20 0.48
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.45
KAT2B Q92831 1/20 0.43
HTR1B P28222 1/20 0.42

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
SCHEMBL9526850 0.93 ADRA1B (0.55) ADRA1BADRA1DADRA1AHTR1ABRD4
SCHEMBL9527346 0.87 ADRA1A (0.65) ADRA1BADRA1DADRA1AHTR1A
SCHEMBL9528052 0.87 ADRA1B (0.53) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9527573 0.85 ADRA1B (0.60) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9763125 0.85 BRD4 (0.50) ADRA1BADRA1DADRA1AHTR1ABRD4
SCHEMBL9527001 0.82 ADRA1A (0.63) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9528561 0.82 ADRA1B (0.56) ADRA1BADRA1DADRA1AHTR1ALMNA
SCHEMBL9527827 0.81 HTR1A (0.60) ADRA1BADRA1DADRA1AHTR1AHTR1B
SCHEMBL9528918 0.80 HTR1A (0.59) ADRA1BADRA1DADRA1AHTR1AHTR1B
SCHEMBL9527047 0.80 BRD4 (0.57) ADRA1BADRA1DADRA1AHTR1ABRD4

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