SCHEMBL10896726

SCHEMBL10896726

CC(NNC(=O)OCCCCCCn1cnc2c(O)ncnc21)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ADORA2A P29274 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 6/20 0.33
▸ CYP2D6 P10635 6/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL10902555 1.00 ADCY5 (0.40) ADCY5TAAR1ADORA2AALDH1A1CYP3A4
SCHEMBL10532237 0.78 ADCY5 (0.46) ADCY5ADORA2ACYP2D6FGFR1TRPM2
Hydrochloric Acid SCHEMBL9561683 0.77 ADCY5 (0.45) ADCY5ADORA2ACYP2D6FGFR1TRPM2
SCHEMBL9561494 0.77 ADCY5 (0.40) ADCY5TAAR1ADORA2A
SCHEMBL9560980 0.75 MARS1 (0.37) ADCY5
SCHEMBL10920956 0.75 ADCY5 (0.38) ADCY5ALDH1A1FGFR1P2RY1
SCHEMBL8466911 0.74 ADCY5 (0.37) ADCY5ADORA2AALDH1A1TRPM2P2RY1
SCHEMBL8464634 0.72 CYP1A2 (0.49) ADCY5CYP2D6CYP1A2
SCHEMBL10889183 0.72 ADORA2A (0.39) ADCY5ADORA2ACYP1A2
SCHEMBL9561486 0.71 PRMT5 (0.39) ADCY5

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
EP-0077460-B1 PURINE COMPOUNDS ENDOWED WITH IMMUNOMODULATING ACTIVITY CO PHARMA CORPORATION S.r.l. (IT) 1986-10-15 — — EP disclosed
US-4567182-A PURINE DERIVATIVES CO PHARMA CORPORATION S.R.L. (IT) 1986-01-28 — — US disclosed
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