SCHEMBL7440010

SCHEMBL7440010

Cc1cccc(C)c1N(C)C(=O)CCN1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRL1 P41146 1/20 0.37
ACHE P22303 2/20 0.36
P2RX7 Q99572 2/20 0.36
SCN4A P35499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL7446241 0.86 DRD4 (0.40) OPRM1MAPTMEN1KMT2ASCN4A
SCHEMBL7282057 0.84 SCN4A (0.42) OPRM1MAPTL3MBTL1OPRL1SCN4A
SCHEMBL10837562 0.74 HTR7 (0.45) MAPTMEN1KMT2ASCN4AALDH1A1
SCHEMBL7431862 0.74 TP53 (0.56) MAPTL3MBTL1MEN1KMT2AACHE
SCHEMBL11929283 0.73 SCN4A (0.43) MAPTMEN1KMT2ASCN4AALDH1A1
SCHEMBL22407742 0.71 HTT (0.44) MAPTMEN1KMT2ASCN4AALDH1A1
SCHEMBL7289343 0.71 ALDH1A1 (0.42) MEN1KMT2ASCN4AALDH1A1TSHR
SCHEMBL7279257 0.71 CYP3A4 (0.60) OPRM1MAPTMEN1KMT2AACHE
SCHEMBL11929144 0.70 HTT (0.47) MEN1KMT2ASCN4AALDH1A1TSHR
SCHEMBL7288792 0.69 ADRB1 (0.45) MAPTSCN4AALDH1A1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed