SCHEMBL19375040

SCHEMBL19375040

C=C1N(CCCO)C(=O)c2c(nc(-c3ccccc3CC)n2Cc2ccc(F)cc2)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL19375271 0.89 TRPC5 (0.36) CYP2D6HRH1LMNAMAPTP2RX3
SCHEMBL19375039 0.81 RAB9A (0.36) RAB9ACYP2D6HRH1LMNAMAPT
SCHEMBL19375632 0.78 PDE5A (0.35) P2RX3KMT2ATSHRRGS4RGS8
SCHEMBL19375500 0.76 MDM2 (0.37) LMNAMAPTP2RX3ACHETP53
SCHEMBL20432562 0.75 PDE5A (0.45) HRH1LMNAMAPTP2RX3KMT2A
SCHEMBL20432067 0.75 HSD11B1 (0.40) RAB9AKMT2APOLBRGS4RGS8
SCHEMBL20432551 0.75 SMN1; SMN2 (0.35) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL16076062 0.72 TRPC4 (0.51) LMNAMAPTKMT2ATSHRKDM4E
SCHEMBL30171188 0.72 TRPC4 (0.51) LMNAMAPTKMT2ATSHRKDM4E
SCHEMBL19375563 0.72 PDE5A (0.39) P2RX3

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