SCHEMBL7389802

SCHEMBL7389802

CON=CCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PNMT P11086 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SIGMAR1 Q99720 13/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
IDO1 P14902 2/20 0.39

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
SCHEMBL6870416 0.90 MEN1 (0.47) IGF1RALOX15MEN1KMT2ANPC1
SCHEMBL6870419 0.90 MEN1 (0.47) IGF1RALOX15MEN1KMT2ANPC1
SCHEMBL5544409 0.73 IGF1R (0.53) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL15716656 0.73 IGF1R (0.53) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL14846527 0.71 PNMT (0.50) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL2114474 0.71 ALDH1A1 (0.49) ALOX15MEN1KMT2ANPC1CYP1A2
SCHEMBL9177318 0.70 SIGMAR1 (0.62) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL6079024 0.69 SIGMAR1 (0.51) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL1448394 0.69 SIGMAR1 (0.63) IGF1RALOX15MEN1KMT2APNMT
SCHEMBL16771200 0.69 PNMT (0.55) IGF1RALOX15MEN1KMT2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756596-B1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH AS (DK) 2002-08-21 EP disclosed
US-5736556-A PARKINSON*S DISEASE; ANTIDEPRESSANTS; ANTIOBESITY; ANTINARCOLEPSY; DRUG ABRUSE NEUROSEARCH A/S (DK) 1998-04-07 US disclosed
EP-0756596-A1 TROPANE-2-ALDOXIME DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH A/S (DK) 1997-02-05 EP disclosed
WO-1995028401-A1 TROPANE-2-ALDOXINE DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH A/S (DK) 1995-10-26 WO disclosed