SCHEMBL11221775

SCHEMBL11221775

Cc1ccc(Cl)cc1NC(=O)NCCCNC(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A3 Q01959 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

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
Hydrochloric Acid SCHEMBL11233929 0.99 MAPT (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11220984 0.87 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL11226987 0.85 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9054497 0.81 POLB (0.64) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7655781 0.79 NSD2 (0.44) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11429114 0.74 LCK (0.51) LMNAPOLBGAA
SCHEMBL19910569 0.74 LMNA (0.62) MAPTLMNAMEN1KMT2AALDH1A1
Recainam SCHEMBL636093 0.74 LMNA (0.51) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL11237210 0.73 EPHX2 (0.40) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29409425 0.73 ALDH1A1 (0.46) MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348413-A Anti-arrhythmic N-[3-alkylaminopropyl]-N'-phenylureas AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-07 US claimed
EP-0007184-B1 UREA DERIVATIVES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1982-06-30 EP claimed
US-4224242-A ANTI-ARRHYTHMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-09-23 US claimed
WO-1980000151-A1 N-(3-ALKYLAMINOPROPYL)-N'-PHENYLUREAS AMERICAN HOME PROD (US) 1980-02-07 WO claimed
EP-0007184-A1 Urea derivatives, processes for preparing them and compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-23 EP claimed
US-4348413-A Anti-arrhythmic N-[3-alkylaminopropyl]-N'-phenylureas AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-07 US disclosed
EP-0007184-B1 UREA DERIVATIVES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1982-06-30 EP disclosed
US-4224242-A ANTI-ARRHYTHMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-09-23 US disclosed
WO-1980000151-A1 N-(3-ALKYLAMINOPROPYL)-N'-PHENYLUREAS AMERICAN HOME PROD (US) 1980-02-07 WO disclosed
EP-0007184-A1 Urea derivatives, processes for preparing them and compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-23 EP disclosed