SCHEMBL7964583

SCHEMBL7964583

N[C@H](CCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.52
METAP1 P53582 2/20 0.52
ACP3 P15309 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 2/20 0.43
SLC6A4 P31645 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
ANPEP P15144 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 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
Hydrochloric Acid SCHEMBL5112626 0.98 METAP2 (0.51) METAP2METAP1ACP3ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4826148 0.98 METAP2 (0.51) METAP2METAP1ACP3ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4827716 0.98 METAP2 (0.51) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL3283005 0.82 ACP3 (0.55) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL16721027 0.79 METAP2 (0.52) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL3741224 0.79 METAP2 (0.46) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL29484443 0.79 ALDH1A1 (0.47) METAP2METAP1ALDH1A1CYP1A2CYP2C9
SCHEMBL4195634 0.79 CYP2C19 (0.47) METAP2METAP1ACP3ALDH1A1CYP1A2
SCHEMBL9313554 0.79 ALDH1A1 (0.47) METAP2METAP1ALDH1A1CYP1A2CYP2C9
SCHEMBL7239903 0.78 ACP3 (0.51) METAP2METAP1ACP3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6031003-A TREATING A PATIENT HAVING A DISEASE OR DISORDER TREATABLE BY MODULATING ACTIVITY OF CALCIUM RECEPTORS IN VITRO BY ADMINISTERING A CALCIMIMETIC COMPOUND DETERMINED BY THE CALCILYTIC BOVINE PARATHYROID CELL TEST; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. (US) 2000-02-29 US claimed
US-6313146-B1 CAN BE USED FOR THERAPY OF DISEASES OR DISORDERS IN A PATIENT BY MODULATING ONE OR MORE INORGANIC ION RECEPTOR ACTIVITIES NPS PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6031003-A TREATING A PATIENT HAVING A DISEASE OR DISORDER TREATABLE BY MODULATING ACTIVITY OF CALCIUM RECEPTORS IN VITRO BY ADMINISTERING A CALCIMIMETIC COMPOUND DETERMINED BY THE CALCILYTIC BOVINE PARATHYROID CELL TEST; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-5962314-A CERTAIN CELLS IN THE BODY RESPOND NOT ONLY TO CHEMICAL SIGNALS, BUT ALSO TO IONS SUCH AS EXTRACELLULAR CALCIUM IONS (CA.SUP.2+). THE INVENTION RELATES TO NUCLEIC ACIDS ENCODING SUCH RECEPTORS AND CELLS CONTAINING SUCH NUCLEIC ACIDS. NPS PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed