SCHEMBL8347352

SCHEMBL8347352

Cc1ccc(C2(C(=O)[NH2+][O-])CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
OPRL1 P41146 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR3 P51677 1/20 0.46
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
FAAH O00519 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL7460373 0.91 OPRL1 (0.56) LMNAPOLBKMT2ACYP2D6SIGMAR1
SCHEMBL8349651 0.89 CCR3 (0.60) POLBSMN1; SMN2KMT2ACYP2D6SIGMAR1
SCHEMBL8347214 0.88 CACNA1G (0.48) POLBKMT2ACYP2D6OPRL1CCR3
SCHEMBL8349956 0.85 POLB (0.54) LMNAPOLBSIGMAR1OPRL1KDM4E
SCHEMBL8347345 0.81 LMNA (0.52) LMNAPOLBSMN1; SMN2KMT2ACYP2D6
SCHEMBL8349895 0.80 L3MBTL1 (0.54) LMNASMN1; SMN2KMT2ACYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL8347488 0.77 ALDH1A1 (0.44) POLBKMT2ACYP2D6SIGMAR1ALDH1A1
SCHEMBL5330651 0.76 CYP2D6 (0.61) LMNAPOLBKMT2ACYP2D6SIGMAR1
SCHEMBL3898508 0.76 OPRL1 (0.79) LMNAPOLBKMT2ASIGMAR1OPRL1
SCHEMBL2794291 0.76 OPRL1 (0.64) LMNAPOLBKMT2ACYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed