SCHEMBL9744353

SCHEMBL9744353

c1ccc(CON2CCCCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.46
LTA4H P09960 2/20 0.45
TSHR P16473 3/20 0.44
DHFR P00374 2/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL447549 1.00 SIGMAR1 (0.47) SIGMAR1LMNALTA4HTSHRDHFR
Bromide SCHEMBL28805308 0.98 SIGMAR1 (0.46) SIGMAR1LMNALTA4HTSHRDHFR
SCHEMBL2982806 0.98 TSHR (0.46) SIGMAR1LMNALTA4HTSHRDHFR
Hydrochloric Acid SCHEMBL2978407 0.96 LMNA (0.46) SIGMAR1LMNALTA4HTSHRDHFR
SCHEMBL15094370 0.94 TSHR (0.46) SIGMAR1LTA4HTSHRDHFRSLC6A3
SCHEMBL6620777 0.86 HRH3 (0.53) LTA4HHRH3
SCHEMBL10382845 0.81 ALDH1A1 (0.41) TSHRDHFRRAB9ANPC1
SCHEMBL28598923 0.80 TSHR (0.50) SIGMAR1LMNATSHRSLC6A3
SCHEMBL23279497 0.80 KMT2A (0.53) SIGMAR1LMNALTA4HTSHRHPGD
SCHEMBL20892082 0.80 MC4R (0.53) SIGMAR1LTA4HTSHRHRH3RAB9A

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed