SCHEMBL9828388

SCHEMBL9828388

Nc1ccc(C2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
SLC18A3 Q16572 1/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 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
SCHEMBL29449720 0.88 MAPT (0.53) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16763481 0.83 SLC18A3 (0.47) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL1704973 0.81 MAPT (0.56) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9828015 0.80 CHRNA7 (0.50) CHKAALDH1A1KDM4ETP53LMNA
SCHEMBL10035921 0.80 MAPT (0.49) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL3439981 0.80 CHKA (0.61) CHKAADRB2NCF1PLD1ALDH1A1
SCHEMBL241159 0.79 DHFR (0.50) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL5632543 0.78 CHKA (0.46) CHKAKDM1AMAOBADRB2NCF1
SCHEMBL20401806 0.77 MAPT (0.46) SLC18A3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9827139 0.77 POLB (0.54) SLC18A3ALDH1A1MAPTKMT2AGAA

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-0291210-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1991-11-06 EP disclosed
US-4835165-A Antiarrhythmic 4-phenylpiperidines PFIZER INC. (US) 1989-05-30 US disclosed
EP-0291210-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-11-17 EP disclosed