SCHEMBL6161104

SCHEMBL6161104

Cc1nc2ccccc2n1C1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CALCRL Q16602 1/20 0.50
P2RY12 Q9H244 1/20 0.47
FPR2 P25090 1/20 0.45
TACR1 P25103 1/20 0.44
CTSL P07711 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SSTR3 P32745 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6161098 1.00 MEN1 (0.51) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL6165912 0.93 MEN1 (0.51) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL6165907 0.93 MEN1 (0.51) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL6162412 0.89 CALCRL (0.55) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL6162416 0.89 CALCRL (0.55) MEN1KMT2ACALCRLP2RY12FPR2
Hydrochloric Acid SCHEMBL6162805 0.88 CALCRL (0.55) MEN1KMT2ACALCRLP2RY12FPR2
Hydrochloric Acid SCHEMBL6162813 0.88 CALCRL (0.55) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL8409743 0.86 CALCRL (0.67) MEN1KMT2ACALCRLCTSL
SCHEMBL6163594 0.85 MEN1 (0.49) MEN1KMT2ACALCRLP2RY12FPR2
SCHEMBL6163588 0.85 MEN1 (0.49) MEN1KMT2ACALCRLP2RY12FPR2

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed