SCHEMBL8631008

SCHEMBL8631008

c1ccc(CN2CCN(Cn3ncc4ccccc43)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.67
SIGMAR1 Q99720 2/20 0.53
KMT2A Q03164 1/20 0.49
P2RX7 Q99572 1/20 0.48
MC4R P32245 1/20 0.46
KMO O15229 1/20 0.46
POLB P06746 2/20 0.45
DRD4 P21917 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL8633902 0.86 RECQL (0.55) RECQLSIGMAR1P2RX7KMOPOLB
SCHEMBL29520874 0.83 RECQL (0.53) RECQLP2RX7KMOPOLBNPC1
SCHEMBL8633681 0.82 RECQL (0.50) RECQLSIGMAR1P2RX7KMOPOLB
SCHEMBL6977835 0.81 RECQL (0.51) RECQLP2RX7KMOPOLBNPC1
SCHEMBL30346162 0.81 RECQL (1.00) RECQLKMT2AP2RX7KMOALDH1A1
SCHEMBL248214 0.81 RECQL (1.00) RECQLKMT2AP2RX7KMOALDH1A1
SCHEMBL8628921 0.80 POLB (0.58) RECQLKMT2AKMOPOLBLMNA
SCHEMBL8631478 0.80 ALDH1A1 (0.54) KMT2APOLBLMNAALDH1A1HSD17B10
SCHEMBL8629425 0.78 DRD4 (0.56) RECQLPOLBDRD4LMNAALDH1A1
SCHEMBL8627836 0.77 DRD4 (0.45) RECQLKMT2AP2RX7POLBDRD4

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
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed