SCHEMBL10900952

SCHEMBL10900952

O=C(O)Cc1ccc(N2CCN(CC=Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ DHCR7 Q9UBM7 1/20 0.54
▸ ITGB3 P05106 3/20 0.50
▸ ITGA2B P08514 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GFER P55789 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ DRD4 P21917 1/20 0.46
▸ HTR1A P08908 2/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL10900946 1.00 EBP (0.58) EBPSIGMAR1DHCR7ITGB3ITGA2B
SCHEMBL11168966 0.86 EBP (0.79) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10897528 0.85 MEN1 (0.55) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10897533 0.85 MEN1 (0.55) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10899574 0.85 EBP (0.71) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10899579 0.85 EBP (0.71) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10900400 0.83 GFER (0.66) ITGB3ITGA2BLMNAMEN1KMT2A
SCHEMBL11164683 0.83 SIGMAR1 (0.51) EBPSIGMAR1DHCR7LMNAMEN1
SCHEMBL10901064 0.82 ITGB3 (0.70) SIGMAR1ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL9216020 0.81 LTA4H (0.60) EBPSIGMAR1DHCR7LMNAGFER

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-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
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