SCHEMBL8340692

SCHEMBL8340692

OC(CN1CC[N]CC1)Cn1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.60
MAPK1 P28482 3/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
IDO1 P14902 1/20 0.52
LMNA P02545 4/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GGPS1 O95749 1/20 0.50
FDPS P14324 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
APAF1 O14727 1/20 0.49

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
SCHEMBL6844242 0.83 LMNA (0.60) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6846881 0.83 DRD2 (0.64) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6844223 0.82 AGER (0.55) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6839346 0.82 P2RX7 (0.56) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6839525 0.82 P2RX7 (0.69) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6846700 0.82 AGER (0.55) AGERMAPK1MAPTTSHRPOLB
SCHEMBL8336875 0.81 AGER (0.54) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6843574 0.81 HTT (0.59) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6843585 0.80 DRD2 (0.54) AGERMAPK1MAPTTSHRPOLB
SCHEMBL6844248 0.80 AGER (0.53) AGERMAPK1MAPTTSHRPOLB

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-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US disclosed