SCHEMBL9519964

SCHEMBL9519964

CCCCCCCCC(C)OC(=O)NC(C)(Cc1c[nH]c2ccccc12)C(=O)N(C)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.48
TACR3 P29371 1/20 0.48
CCKBR P32239 3/20 0.46

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
SCHEMBL9338635 0.82 TACR1 (0.55) TACR1TACR3
SCHEMBL6892600 0.82 KMT2A (0.55) CCKBR
SCHEMBL9540669 0.81 TACR1 (0.55) TACR1TACR3
SCHEMBL9540664 0.81 TACR1 (0.55) TACR1TACR3
SCHEMBL6888077 0.80 KMT2A (0.46) TACR1
SCHEMBL9538034 0.78 TACR3 (0.54) TACR1TACR3
SCHEMBL9538112 0.73 TACR3 (0.45) TACR1TACR3
SCHEMBL9083273 0.73 CCKBR (0.51) CCKBR
SCHEMBL27336638 0.72 KMT2A (0.54)
SCHEMBL9538153 0.71 CCKAR (0.53) CCKBR

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-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS 1993-09-22 EP disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 EP disclosed