SCHEMBL9820325

SCHEMBL9820325

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)CC3C)cc21.CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)CC3C)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ATP6V1B2 P21281 1/20 0.53
▸ TBXA2R P21731 1/20 0.53
▸ EDNRA P25101 1/20 0.53
▸ TARBP2 Q15633 1/20 0.53
▸ DRD3 P35462 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ CYP2J2 P51589 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KMT2A Q03164 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL9820330 0.93 KDM4E (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9046650 0.93 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9043221 0.91 DRD3 (0.60) LMNADRD3KDM4EHSD17B10ALDH1A1
SCHEMBL9148662 0.80 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9148668 0.80 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10474475 0.79 KMT2A (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL13576345 0.79 KMT2A (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9043957 0.79 KMT2A (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10677290 0.79 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9044640 0.79 DPP4 (0.60) LMNAKDM4EHSD17B10ALDH1A1HPGD

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-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 — — US disclosed
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