SCHEMBL8097185

SCHEMBL8097185

COc1ccc(CCCCC(=O)N2CCCCC2)cc1

nearest known ligand 0.95

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 2/20 0.64
FKBP1A P62942 1/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
TSHR P16473 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
MEN1 O00255 1/20 0.55
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL31329285 0.96 HPGD (0.66) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL31329313 0.96 HPGD (0.66) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL31329280 0.94 FKBP1A (0.64) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL31329327 0.92 FKBP1A (0.64) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL10305162 0.88 FKBP1A (0.76) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL9557029 0.84 FKBP1A (0.56) SMN1; SMN2FKBP1AALDH1A1KMT2ATSHR
SCHEMBL8093089 0.84 HDAC1 (0.58) SMN1; SMN2HPGDTRPV1SIGMAR1RAB9A
SCHEMBL2833214 0.82 KMT2A (0.69) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL13068565 0.82 FKBP1A (0.60) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A
SCHEMBL9556632 0.82 FKBP1A (0.60) SMN1; SMN2HPGDFKBP1AALDH1A1KMT2A

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
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed