SCHEMBL7368490

SCHEMBL7368490

CC(C)CCN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
REN P00797 2/20 0.56
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
YAP1 P46937 2/20 0.49
CTSK P43235 3/20 0.49
CTSL P07711 1/20 0.49
PTPN1 P18031 1/20 0.49
BCL2 P10415 1/20 0.49
CTSS P25774 1/20 0.49
CACNA1B Q00975 1/20 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
SCHEMBL7368496 1.00 IL1RN (0.56) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7372153 0.92 REN (0.57) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7372154 0.92 REN (0.57) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7346373 0.90 IL1RN (0.59) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7346379 0.90 IL1RN (0.59) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7408594 0.89 REN (0.56) IL1RNERAP2ERAP1RENMME
SCHEMBL7366803 0.89 IL1RN (0.56) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7348670 0.89 IL1RN (0.58) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7348677 0.89 IL1RN (0.58) IL1RNERAP2ERAP1RENPOLB
SCHEMBL7373579 0.89 IL1RN (0.56) IL1RNERAP2ERAP1RENPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed