SCHEMBL8924222

SCHEMBL8924222

COc1ccc(N2CCN(Cn3ncc4c3-c3ccccc3C4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
DRD3 P35462 5/20 0.46
SMO Q99835 1/20 0.46
TP53 P04637 1/20 0.45
HTR2C P28335 1/20 0.45
DRD4 P21917 3/20 0.44
DRD2 P14416 1/20 0.44
HTR1A P08908 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PTK2 Q05397 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL8924034 0.91 DRD3 (0.51) MAPTLMNAGFERPOLBDRD3
SCHEMBL8019505 0.76 HIF1A (0.58) MAPTLMNASMOTP53HTR2C
SCHEMBL8630582 0.76 MAPT (0.54) MAPTLMNAGFERPOLBSMO
Hydrochloric Acid SCHEMBL8811363 0.71 DRD3 (0.53) MAPTLMNAPOLBDRD3DRD4
Hydrochloric Acid SCHEMBL8811368 0.71 DRD3 (0.53) MAPTLMNAPOLBDRD3DRD4
Ammonia Solution, Strong SCHEMBL4359394 0.69 MEN1 (0.44) MAPTLMNAPOLBTP53HTR2C
SCHEMBL1388930 0.69 HIF1A (0.53) MAPTLMNAGFERDRD3SMO
SCHEMBL8923621 0.67 HTR3A (0.50) LMNADRD3HTR2CDRD4DRD2
SCHEMBL21361433 0.67 DRD2 (0.68) MAPTLMNAGFERPOLBDRD4
SCHEMBL6153220 0.66 ALDH1A1 (0.66) MAPTLMNAPOLBDRD2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686480-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK, SHARP & DOHME, LTD. (GB) 1997-11-11 US claimed
US-5686480-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK, SHARP & DOHME, LTD. (GB) 1997-11-11 US disclosed