SCHEMBL7814221

SCHEMBL7814221

O=C(O)[C@@H]1CCCCN1Cc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.58
▸ MCHR1 Q99705 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CD274 Q9NZQ7 9/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PDCD1 Q15116 5/20 0.52
▸ SIGMAR1 Q99720 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
SCHEMBL7814225 1.00 NPBWR1 (0.58) NPBWR1MCHR1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7618359 0.99 NPBWR1 (0.57) NPBWR1MCHR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1815987 0.96 NPBWR1 (0.53) NPBWR1MCHR1KDM4ECD274PDCD1
SCHEMBL3148367 0.96 NPBWR1 (0.53) NPBWR1MCHR1KDM4ECD274PDCD1
SCHEMBL2030130 0.96 NPBWR1 (0.53) NPBWR1MCHR1KDM4ECD274PDCD1
SCHEMBL3713831 0.87 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CD274MEN1KMT2A
SCHEMBL16714062 0.87 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CD274MEN1KMT2A
SCHEMBL3713829 0.87 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CD274MEN1KMT2A
Hydrochloric Acid SCHEMBL2500262 0.86 SMN1; SMN2 (0.61) MCHR1SMN1; SMN2CD274MEN1KMT2A
Hydrochloric Acid SCHEMBL7742897 0.86 SMN1; SMN2 (0.61) MCHR1SMN1; SMN2CD274MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035852-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-09-12 — — EP claimed
EP-1035852-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-09-20 — — EP claimed
WO-1999027933-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 — — WO claimed
EP-1035852-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-09-12 — — EP disclosed
EP-1035852-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-09-20 — — EP disclosed
US-5972966-A AND THE FARNESYLATION OF THE ONCOGENE PROTEIN RAS MERCK & CO., INC. (US) 1999-10-26 — — US disclosed
WO-1999027933-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 — — WO disclosed
Send feedback