SCHEMBL13542638

SCHEMBL13542638

CCOc1cc(F)ccc1N1CCC(CNC(=O)[C@](C)(O)[C@@H](O)C(=O)N2Cc3cccnc3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.41
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ HPGDS O60760 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ GPR6 P46095 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
SCHEMBL8275982 0.91 NAMPT (0.41) NAMPTDPP8DPP9CKS1BSKP1
SCHEMBL8217661 0.89 CHRM4 (0.43) NAMPTDPP8DPP9CKS1BSKP1
SCHEMBL8223431 0.88 CHRM4 (0.42) NAMPTDPP8DPP9CKS1BSKP1
SCHEMBL8223423 0.81 NAMPT (0.42) NAMPTDPP8DPP9KCNH2
SCHEMBL8273733 0.78 NAMPT (0.43) NAMPT
SCHEMBL13542844 0.78 NAMPT (0.44) NAMPTDPP8DPP9KCNH2SSTR4
SCHEMBL8275981 0.77 NAMPT (0.42) NAMPTDPP8DPP9F10
SCHEMBL8224777 0.75 NAMPT (0.42) NAMPT
SCHEMBL8221929 0.75 CHRM4 (0.44) NAMPTDPP8DPP9SSTR4
SCHEMBL12216389 0.74 NAMPT (0.41) NAMPTKCNH2CSF1RF10SCN5A

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
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
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