SCHEMBL11158397

SCHEMBL11158397

C1=CCC2CN(c3ccccc3)CC2=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.36
NOTUM Q6P988 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
CHRNB2 P17787 1/20 0.30

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
SCHEMBL10534322 0.84 MBTD1 (0.39) NOTUMMAPTLMNAKCNH2HTR3E
SCHEMBL29140942 0.79 NOTUM (0.37) NOTUMMAPTLMNAKCNH2HTR3E
SCHEMBL28170358 0.73 BPTF (0.33) BPTFNOTUMMAPTLMNA
SCHEMBL7627338 0.73
SCHEMBL1241881 0.69 CYP2D6 (0.33) KCNH2
SCHEMBL29163640 0.69 NOTUM (0.39) NOTUMMAPTKCNH2HTR3EHTR3B
SCHEMBL31550557 0.69 ADRB1 (0.37) MAPTADRB1L3MBTL3L3MBTL1
SCHEMBL9038390 0.69 ALDH1A1 (0.39) HSD17B10
SCHEMBL28740969 0.66 HTR3E (0.41) MAPTLMNARAB9AHTR3EHTR3B
SCHEMBL10845510 0.66 G6PD (0.42) L3MBTL1ALOX15

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
JP-58131969-A None JP disclosed
JP-S58131969-A 2-PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1983-08-06 JP disclosed