SCHEMBL9059928

SCHEMBL9059928

CC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(C)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.62
LMNA P02545 2/20 0.62
PDE3A Q14432 1/20 0.62
PDE4D Q08499 2/20 0.53
HTR2B P41595 1/20 0.53
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
GAA P10253 1/20 0.51
TSPO P30536 1/20 0.51
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
CACNA1F O60840 1/20 0.46
ALB P02768 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL11287064 0.88 OPRK1 (0.76) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL11339291 0.88 OPRK1 (0.76) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL11284788 0.88 OPRK1 (0.76) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL10193351 0.86 OPRK1 (0.60) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL9059857 0.85 OPRK1 (0.47) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL9061591 0.81 OPRK1 (0.44) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL11964613 0.80 OPRK1 (0.62) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL607292 0.80 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL608162 0.80 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DHTR2B
SCHEMBL2266031 0.80 OPRK1 (0.55) OPRK1LMNAPDE3APDE4DHTR2B

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-5288514-A Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-22 US claimed
US-5545568-A ARRAY OF COMPOUNDS ON SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-08-13 US disclosed
US-5288514-A Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-22 US disclosed