Sugi Predict

Sugi Predict / Compounds / SCHEMBL17620837

SCHEMBL17620837

SCHEMBL17620837

CC(C)CCN1CCC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)CC1.CC(C)CN1CCC(c2ccc(NC(=O)N3CC(c4cccnc4)C3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.65
▸ CYP3A4 P08684 2/20 0.50
▸ CCR5 P51681 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL15529411 0.96 NAMPT (0.58) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL15529238 0.95 NAMPT (0.70) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL16228537 0.90 NAMPT (0.58) NAMPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL15529493 0.89 NAMPT (0.59) NAMPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL16228840 0.88 NAMPT (0.59) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL15529591 0.87 NAMPT (0.55) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL15529180 0.87 NAMPT (0.58) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL15528750 0.86 NAMPT (0.58) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL15529646 0.85 NAMPT (0.54) NAMPTCYP3A4CCR5NPC1RAB9A
SCHEMBL16228876 0.85 NAMPT (0.55) NAMPTCYP3A4CCR5NPC1RAB9A

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
US-9296723-B2 NAMPT inhibitors ABBVIE INC. (US) 2016-03-29 — — US claimed