SCHEMBL9513530

SCHEMBL9513530

Nc1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
IGF1R P08069 8/20 0.56
SPHK1 Q9NYA1 2/20 0.54
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL9513747 0.84 KMT2A (0.53) KMT2AMEN1IGF1RSPHK1HTR1A
SCHEMBL9515064 0.81 IGF1R (0.74) KMT2AMEN1IGF1RSPHK1HTR1A
SCHEMBL11721357 0.80 GAA (0.56) KMT2AMEN1IGF1RSPHK1KDM4E
SCHEMBL6375438 0.78 SPHK1 (0.60) KMT2AMEN1IGF1RSPHK1ADRB2
SCHEMBL10580775 0.78 SPHK1 (0.55) KMT2AMEN1IGF1RSPHK1HTR1A
SCHEMBL9731821 0.77 HTR1A (0.49) KMT2AMEN1IGF1RSPHK1HTR1A
SCHEMBL10578945 0.77 SPHK1 (0.62) KMT2AMEN1IGF1RSPHK1HTR1A
SCHEMBL3439981 0.77 CHKA (0.61) KMT2AMEN1ALDH1A1ADRB2KDM4E
SCHEMBL4261494 0.76 KDM4E (0.71) KMT2AMEN1IGF1RCYP19A1ALDH1A1
SCHEMBL1353691 0.76 ALDH1A1 (0.50) KMT2AMEN1IGF1RCYP19A1ALDH1A1

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-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed