SCHEMBL9257544

SCHEMBL9257544

O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(CN(C(=O)Nc2ccc(Cl)cc2)C2CCCCCC2)c1)C1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
SLC6A5 Q9Y345 1/20 0.59
AGER Q15109 1/20 0.56
DCUN1D1 Q96GG9 10/20 0.55
UBE2M P61081 9/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ROCK2 O75116 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 2/20 0.47

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
SCHEMBL7802288 0.90 DCUN1D1 (0.66) SLC6A9SLC6A5AGERDCUN1D1UBE2M
SCHEMBL10587267 0.90 SLC6A9 (0.61) SLC6A9SLC6A5AGERDCUN1D1UBE2M
SCHEMBL9260667 0.89 ALDH1A1 (0.54) SLC6A9SLC6A5DCUN1D1UBE2MALDH1A1
SCHEMBL9256017 0.89 ALDH1A1 (0.66) DCUN1D1UBE2MALDH1A1SMN1; SMN2LMNA
SCHEMBL23699902 0.88 CNR1 (0.53) SLC6A9SLC6A5AGERDCUN1D1UBE2M
SCHEMBL9255607 0.88 ALDH1A1 (0.53) SLC6A9SLC6A5DCUN1D1UBE2MALDH1A1
SCHEMBL9261691 0.88 ALDH1A1 (0.53) SLC6A9SLC6A5DCUN1D1UBE2MALDH1A1
SCHEMBL9255834 0.88 ALDH1A1 (0.53) SLC6A9SLC6A5DCUN1D1UBE2MALDH1A1
SCHEMBL9257297 0.88 DCUN1D1 (0.56) DCUN1D1UBE2MALDH1A1SMN1; SMN2ROCK2
SCHEMBL9265728 0.88 AGER (0.56) SLC6A9SLC6A5AGERDCUN1D1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed