SCHEMBL7905910

SCHEMBL7905910

O=C(CO)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.74
ALDH1A1 P00352 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 1/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
KMT2A Q03164 1/20 0.74
PAX8 Q06710 1/20 0.74
TRPM8 Q7Z2W7 4/20 0.56
MLYCD O95822 1/20 0.50
CHRM3 P20309 4/20 0.49
CHRM2 P08172 3/20 0.49
OPRM1 P35372 8/20 0.48
SIGMAR1 Q99720 2/20 0.48
OPRL1 P41146 1/20 0.47
OPRD1 P41143 5/20 0.47
OPRK1 P41145 5/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 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
SCHEMBL11816128 0.98 MITF (0.71) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5992122 0.87 MITF (0.74) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6215102 0.86 KDM4E (0.68) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5992289 0.85 ALDH1A1 (1.00) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12679652 0.85 MITF (0.72) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5995175 0.85 MITF (0.72) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL18569422 0.85 KDM4E (0.72) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12679658 0.84 MEN1 (0.67) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12679654 0.84 MEN1 (0.67) MITFALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11407980 0.84 MEN1 (0.65) MITFALDH1A1SMN1; SMN2KDM4EMEN1

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-6207852-B1 THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS BRIDGE PHARMA, INC. 2001-03-27 US disclosed
EP-0915826-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA INC (US) 1999-12-29 EP disclosed
EP-0915826-A1 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF Bridge Pharma, Inc. (US) 1999-05-19 EP disclosed
WO-1998000390-A1 SMOOTH MUSCLE SPASMOLYTIC AGENTS, COMPOSITIONS AND METHODS OF USE THEREOF BRIDGE PHARMA, INC. (US) 1998-01-08 WO disclosed
US-3954827-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed