SCHEMBL7265803

SCHEMBL7265803

CCC(CC)Nc1nc(Cl)nc2c1ncn2C1CCCCO1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.73
▸ ADORA1 P30542 7/20 0.57
▸ ADORA3 P0DMS8 6/20 0.57
▸ ADORA2A P29274 5/20 0.57
▸ HTR2C P28335 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ TMIGD3 P0DMS9 1/20 0.53
▸ FLT3 P36888 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL17902901 0.89 YTHDC1 (0.79) YTHDC1ADORA1ADORA3ADORA2AHTR2C
SCHEMBL19010862 0.85 YTHDC1 (0.73) YTHDC1ADORA1ADORA3ADORA2AHTR2C
SCHEMBL19049986 0.85 YTHDC1 (1.00) YTHDC1ADORA1ADORA3ADORA2AHTR2C
SCHEMBL4649311 0.84 YTHDC1 (0.72) YTHDC1ADORA1ADORA3ADORA2AHTR2C
SCHEMBL28433352 0.84 YTHDC1 (0.74) YTHDC1ADORA1ADORA3FLT3NPC1
SCHEMBL20104998 0.82 YTHDC1 (0.72) YTHDC1ADORA1ADORA3FLT3NPC1
SCHEMBL1713275 0.82 YTHDC1 (0.79) YTHDC1ADORA1ADORA3ADORA2AFLT3
SCHEMBL5442351 0.82 YTHDC1 (0.78) YTHDC1ADORA1ADORA3ADORA2AFLT3
SCHEMBL5442056 0.82 YTHDC1 (0.67) YTHDC1ADORA1ADORA3ADORA2AHTR2C
SCHEMBL16549238 0.81 YTHDC1 (0.77) YTHDC1ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003080604-A1 DIHYDROISOXAZOLYL SUBSTITUTED TETRAHYDROFURAN COOMPOUNDS AS INTERMEDIATES IN THE PREPARATION OF 2-(PURIN-9-YL) - TETRAHYDROFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO disclosed
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