SCHEMBL11755016

SCHEMBL11755016

CCCCCn1c2c(c3ccccc31)CNC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PABPC1 P11940 2/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
NTSR1 P30989 1/20 0.53
NLRP3 Q96P20 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
SIRT2 Q8IXJ6 4/20 0.50
SIRT1 Q96EB6 3/20 0.50
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
CNR2 P34972 3/20 0.46

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
SCHEMBL9615110 0.88 NPC1 (0.54) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL176660 0.87 SIRT2 (0.66) NPC1RAB9AKDM4EPABPC1APOBEC3A
Hydrochloric Acid SCHEMBL9615105 0.87 KDM4E (0.53) NPC1RAB9AKDM4EPABPC1APOBEC3A
SCHEMBL278343 0.76 PGR (0.66) MAOAMAOBCNR2PGRRORA
SCHEMBL6774209 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA
SCHEMBL6278388 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA
SCHEMBL6575875 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA
SCHEMBL750975 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA
SCHEMBL1001993 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA
SCHEMBL6275417 0.74 PGR (0.64) MAOAMAOBCNR2PGRRORA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4006164-A TRANQUILIZER PFIZER INC. (US) 1977-02-01 US disclosed
US-4006164-A TRANQUILIZER PFIZER INC. (US) 1977-02-01 US disclosed
US-4006164-A TRANQUILIZER PFIZER INC. (US) 1977-02-01 US disclosed
US-3968231-A 4-Aryl-1,2,3,4-tetrahydropyrrolo(3,4-b)indoles for treating schizophrenic manifestations BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3968231-A 4-Aryl-1,2,3,4-tetrahydropyrrolo(3,4-b)indoles for treating schizophrenic manifestations BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3968231-A 4-Aryl-1,2,3,4-tetrahydropyrrolo(3,4-b)indoles for treating schizophrenic manifestations BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3925409-A 4-Aryl-1,2,3,4-tetrahydropyrrolo{8 3,4-b{9 indoles PFIZER 1975-12-09 US disclosed