SCHEMBL9714684

SCHEMBL9714684

O=CCCCc1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
MGLL Q99685 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
CALM1 P0DP23 1/20 0.47
OPRK1 P41145 3/20 0.47
ENPP2 Q13822 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
TYR P14679 1/20 0.45
MIF P14174 1/20 0.45

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
SCHEMBL11219508 0.95 MGLL (0.55) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL28507389 0.93 MGLL (0.58) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL21397284 0.93 MGLL (0.58) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL5833923 0.93 MGLL (0.58) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL910507 0.89 DRD2 (0.57) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL30882630 0.89 DRD2 (0.57) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL22314080 0.86 CBS (0.53) DRD2DRD1TAAR1CHRM2CHRM1
Resorcinol SCHEMBL1635862 0.84 CA12 (0.57) CHRM2CHRM1CHRM3ENPP2
SCHEMBL10534002 0.82 OPRK1 (0.54) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL11232474 0.82 DRD2 (0.68) DRD2DRD1TAAR1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089216-C Chewing gum with prolonged and improved flavor containing dipeptide sweetener and method of making same HOLLAND SWEETENER CO N O F (NL) 2002-08-21 CN disclosed
CN-1230096-A Chewing gum with extended and improved flavor containing dipeptide sweetener HOLLAND SWEETENER CO (NL) 1999-09-29 CN disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
US-4309422-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-01-05 US disclosed