SCHEMBL8522108

SCHEMBL8522108

O=C(c1cccc2ccccc12)N1CCN(C(CCc2ccccc2)c2cnc[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.49
FNTB P49356 11/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
AVPR1A P37288 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 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
SCHEMBL8153147 0.83 FNTA (0.47) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8152940 0.83 FNTA (0.48) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL3501537 0.83 FNTA (0.63) FNTAFNTB
SCHEMBL7483971 0.81 FNTA (0.47) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8541422 0.81 ALDH1A1 (0.53) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL8520839 0.81 ALDH1A1 (0.46) FNTAFNTBALDH1A1LMNA
Hydrochloric Acid SCHEMBL7482278 0.81 FNTA (0.47) FNTAFNTBALDH1A1LMNAMEN1
SCHEMBL6603204 0.80 FNTA (0.51) FNTAFNTB
Trifluoroacetic Acid SCHEMBL8452329 0.79 FNTA (0.58) FNTAFNTB
SCHEMBL7084118 0.78 FNTA (0.62) FNTAFNTBALDH1A1

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
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed