SCHEMBL7956092

SCHEMBL7956092

Ic1ccc2nc(C3CCNCC3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
APP P05067 2/20 0.39
MAPT P10636 1/20 0.36
ILK Q13418 1/20 0.36
SNCA P37840 1/20 0.35
DYRK1A Q13627 1/20 0.35
KCNH2 Q12809 1/20 0.35
UBE2M P61081 6/20 0.34
DCUN1D1 Q96GG9 6/20 0.34
ROCK2 O75116 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
ALOX12 P18054 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8314254 0.82 NPC1 (0.77) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL30886966 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL20791625 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL29210745 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL19617551 0.82 MEN1 (0.64) MEN1KMT2ANPC1RAB9AAPP
Hydrochloric Acid SCHEMBL20135246 0.81 MEN1 (0.62) MEN1KMT2ANPC1RAB9AAPP
SCHEMBL29264373 0.79 MEN1 (0.59) MEN1KMT2ANPC1RAB9AILK
SCHEMBL2710382 0.78 KMT2A (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7968273 0.77 KMT2A (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29858428 0.77 MEN1 (0.57) MEN1KMT2ANPC1RAB9AAPP

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed