SCHEMBL8437169

SCHEMBL8437169

CN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MTHFD1 P11586 2/20 0.47
MTHFD2 P13995 2/20 0.47
POLB P06746 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
AVPR1A P37288 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL8437125 0.99 MEN1 (0.52) MEN1KMT2AMTHFD1MTHFD2POLB
SCHEMBL27464735 0.93 ALDH1A1 (0.44) MEN1KMT2AMTHFD1MTHFD2ALDH1A1
SCHEMBL8439848 0.92 ALDH1A1 (0.43) MEN1KMT2AMTHFD1MTHFD2POLB
SCHEMBL8438978 0.92 MEN1 (0.53) MEN1KMT2AMTHFD1MTHFD2POLB
Hydrochloric Acid SCHEMBL8804440 0.91 ALDH1A1 (0.43) MEN1KMT2AMTHFD1MTHFD2POLB
Hydrochloric Acid SCHEMBL8437835 0.91 MEN1 (0.52) MEN1KMT2AMTHFD1MTHFD2POLB
Hydrochloric Acid SCHEMBL8439685 0.91 ALDH1A1 (0.43) MEN1KMT2AMTHFD1MTHFD2POLB
SCHEMBL8439218 0.90 ALDH1A1 (0.42) MEN1KMT2AMTHFD1MTHFD2ALDH1A1
SCHEMBL8435271 0.90 HPGD (0.46) MEN1KMT2AMTHFD1MTHFD2ALDH1A1
Hydrochloric Acid SCHEMBL8437544 0.89 HPGD (0.46) MEN1KMT2AMTHFD1MTHFD2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed