SCHEMBL7964498

SCHEMBL7964498

Ic1ccc2nc(C3CCNCC3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.49
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SOS1 Q07889 1/20 0.34
ROCK2 O75116 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL23411619 0.82 MPO (0.49) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2859330 0.82 MPO (0.67) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL374150 0.82 SOS1 (0.51) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14157509 0.82 MPO (0.49) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20134872 0.82 MPO (0.49) MPORAB9ANPC1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31150133 0.81 MPO (0.48) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL23411408 0.79 MPO (0.46) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2856494 0.79 HTR2C (0.47) MPOLMNAMEN1KMT2AROCK2
SCHEMBL373400 0.78 MPO (0.54) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7954385 0.77 RAB9A (0.62) MPORAB9ANPC1ALDH1A1SMN1; SMN2

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