SCHEMBL7411644

SCHEMBL7411644

CCCCCCn1c2c(c3ccccc31)CC(N(C)C)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NTSR1 P30989 1/20 0.55
NLRP3 Q96P20 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PABPC1 P11940 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
HTR6 P50406 8/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGDR Q13258 1/20 0.49
DRD2 P14416 2/20 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
SCHEMBL7411149 0.87 HTR6 (0.66) MAOAMAOBHTR6PTGDR2TBXA2R
SCHEMBL7406673 0.85 HTR6 (0.43) NPC1RAB9ANTSR1NLRP3MEN1
SCHEMBL7410597 0.85 HTR6 (0.57) RAB9AKDM4EHTR6PTGDR2TBXA2R
SCHEMBL7410827 0.84 PTGDR2 (0.54) MAOAMAOBHTR6PTGDR2TBXA2R
SCHEMBL7412035 0.84 HTR6 (0.55) MAOAMAOBHTR6PTGDR2TBXA2R
SCHEMBL7409349 0.83 HTR6 (0.56) HTR6PTGDR2TBXA2RPTGDRDRD2
SCHEMBL7409383 0.82 HTR6 (0.52) MAOAMAOBHTR6PTGDR2TBXA2R
SCHEMBL7412532 0.81 HTR6 (0.51) KDM4EMAOAMAOBHTR6PTGDR2
SCHEMBL7410795 0.81 HTR6 (0.51) MAOAMAOBHTR6PTGDR2TBXA2R
SCHEMBL7407017 0.80 PTGDR2 (0.72) ALDH1A1KDM4EHTR6PTGDR2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed