SCHEMBL9875015

SCHEMBL9875015

Nc1nc2c(s1)CCC(CN1CC=C(c3ccccc3)CC1)C2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
DRD4 P21917 4/20 0.57
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9873593 0.92 DRD2 (0.57) DRD2DRD3DRD4TSHRLMNA
SCHEMBL9872533 0.81 DRD2 (0.49) DRD2DRD3DRD4TSHRLMNA
SCHEMBL9874903 0.78 SIGMAR1 (0.43) DRD2DRD3DRD4TSHRLMNA
Ci-1007 SCHEMBL7783725 0.73 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL9874743 0.73 LMNA (0.51) DRD2DRD3TSHRLMNAPOLB
SCHEMBL9373972 0.70 DRD2 (0.82) DRD2DRD3DRD4
SCHEMBL9373964 0.70 DRD2 (0.82) DRD2DRD3DRD4
SCHEMBL7803655 0.70 DRD2 (0.67) DRD2DRD3DRD4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7812639 0.70 DRD2 (0.80) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7812638 0.70 DRD2 (0.80) DRD2DRD3DRD4

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-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed