SCHEMBL18835033

SCHEMBL18835033

CC(C)c1ccccc1-c1nc2c(n1Cc1ccccc1)C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 11/20 0.39
▸ TRPC5 Q9UL62 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18834975 0.89 KDM4E (0.39) TRPC5ADORA3TSHRPDE5APDE4A
SCHEMBL20432069 0.82 TRPC5 (0.36) TRPC5ADORA3TSHRLMNAHPGD
SCHEMBL21499716 0.81 PDE4A (0.38) ADORA3TSHRPDE5APDE4APDE4B
SCHEMBL19375039 0.81 RAB9A (0.36) ADORA3TSHRLMNASMN1; SMN2
SCHEMBL22105398 0.81 MEN1 (0.50) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL18834366 0.80 TRPC5 (0.38) TRPC5
SCHEMBL21316348 0.80 ALDH1A1 (0.40) TRPC5ADORA3TSHRPDE5APDE4A
SCHEMBL21316344 0.80 P2RX3 (0.40) ADORA3PDE5APDE4APDE4BPDE4C
SCHEMBL19375150 0.80 USP1 (0.41) USP1TRPC5
SCHEMBL18834435 0.79 MAPT (0.39) TRPC5ADORA3TSHRPDE5AHPGD

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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