SCHEMBL18833781

SCHEMBL18833781

C=C1c2c(nc(-c3ccccc3C)n2Cc2ccccc2)N(C)C(=O)N1CCCO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ CASR P41180 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ S1PR2 O95136 1/20 0.34

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
SCHEMBL19374868 0.82 P2RX3 (0.36) TSHRADORA3BRD4LMNAS1PR2
SCHEMBL18834275 0.81 TP53 (0.37) TSHRADORA3PDE5APDE4APDE4B
SCHEMBL18834221 0.80 P2RX3 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19375602 0.78 ADORA3 (0.43) TSHRADORA3PPARGSMN1; SMN2
SCHEMBL8007895 0.74 PDE5A (0.39) TSHRPDE5ABRD4HPGDS1PR2
SCHEMBL18834648 0.74 PDE5A (0.37) TSHRADORA3PDE5APDE4APDE4B
SCHEMBL18833638 0.74 USP1 (0.38) LMNASMN1; SMN2
SCHEMBL22111414 0.73 PDE5A (0.33) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL18834562 0.71 P2RX7 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18834247 0.71 P2RX3 (0.35) —

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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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