SCHEMBL10748217

SCHEMBL10748217

COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.51
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ OXTR P30559 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CAPN1 P07384 2/20 0.41
▸ AVPR2 P30518 2/20 0.41
▸ AVPR1A P37288 2/20 0.41
▸ AVPR1B P47901 2/20 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
SCHEMBL10362476 0.97 TACR1 (0.53) TACR1ATMMEN1KMT2AALDH1A1
SCHEMBL10363304 0.89 TACR1 (0.52) TACR1ATMMEN1KMT2A
SCHEMBL10362638 0.87 TACR1 (0.57) TACR1ATMMEN1KMT2AALDH1A1
SCHEMBL10364251 0.78 TACR1 (0.57) TACR1ATM
SCHEMBL10362594 0.78 TACR1 (0.67) TACR1ATM
SCHEMBL1372348 0.77 CTRB1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1372342 0.77 CTRB1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10364359 0.77 TACR1 (0.38) TACR1OXTRAVPR2AVPR1AAVPR1B
SCHEMBL10748220 0.77 REN (0.38) MEN1KMT2AOXTRAVPR2AVPR1A
SCHEMBL1371614 0.76 CAPN1 (0.45) KMT2AOXTRCAPN1AVPR2AVPR1A

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-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 — — US disclosed
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