SCHEMBL22924654

SCHEMBL22924654

Cc1nc(N2CCN(C)CC2)nc(N2CCN(c3nc(N4CCN(c5nc(C)nc(N6CCN(C)CC6)n5)CC4)nc(N4CCN(c5nc(C)nc(N6CCN(C)CC6)n5)CC4)n3)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 10/20 0.74
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HTR3A P46098 1/20 0.44

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
SCHEMBL12257800 0.95 HRH4 (0.74) HRH4KMT2ANPSR1TP53HSD17B10
SCHEMBL27082996 0.90 HRH4 (0.59) HRH4KMT2AHTR3A
SCHEMBL22661439 0.88 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL22661442 0.88 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL22603853 0.88 HRH4 (0.61) HRH4KMT2AHTR3A
SCHEMBL22924653 0.87 HRH4 (0.59) HRH4NPSR1HSD17B10HTR3A
SCHEMBL4369596 0.86 HRH4 (1.00) HRH4
SCHEMBL25724011 0.82 HRH4 (0.59) HRH4KMT2AHTR3A
SCHEMBL22924659 0.79 KMT2A (0.55) HRH4KMT2AHTR3A
SCHEMBL26580968 0.79 HRH4 (0.55) HRH4KMT2ANPSR1TP53HSD17B10

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-11130900-B2 Method for improving cement toughness SAUDI ARABIAN OIL COMPANY (SA) 2021-09-28 — — US disclosed
US-20210024806-A1 METHOD FOR IMPROVING CEMENT TOUGHNESS ARAMCO SERVICES COMPANY 2021-01-28 — — US disclosed
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