SCHEMBL7859535

SCHEMBL7859535

Clc1ccc2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
CDK9 P50750 4/20 0.44
CCNT1 O60563 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
DAO P14920 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F11 P03951 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL22773267 0.87 MAPK1 (0.46) KMT2AMAPK1CDK9CCNT1NPC1
SCHEMBL29869195 0.87 MAPK1 (0.46) KMT2AMAPK1CDK9CCNT1NPC1
SCHEMBL23010839 0.81 TLR9 (0.47) HRH4CDK9CCNT1RAB9ALOXL2
SCHEMBL29688552 0.78 MAOB (0.49) HRH4MAPTHTR3AHRH3SLC6A4
SCHEMBL1237690 0.78 MAOB (0.49) HRH4MAPTHTR3AHRH3SLC6A4
SCHEMBL10151151 0.77 HTR2C (0.51) HRH4KMT2AMAPK1MEN1TLR9
SCHEMBL30578666 0.73 THRB (0.45) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL27518830 0.73 GRIN2B (0.48) HRH4KMT2ANPC1RAB9AKDM4E
SCHEMBL9316701 0.73 DAO (0.44) HRH4KMT2ANPC1RAB9ALOXL2
SCHEMBL14447538 0.72 NPC1 (0.51) KMT2AMAPK1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed