SCHEMBL11457763

SCHEMBL11457763

Cc1cccc(C)c1N1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ SSTR2 P30874 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 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
Bromide SCHEMBL11447606 0.98 KMT2A (0.45) KMT2AMEN1TSHRHTR3EHTR3B
SCHEMBL28703207 0.88 SSTR2 (0.43) KMT2AMEN1TSHRHTR3EHTR3B
Hydrochloric Acid SCHEMBL30852171 0.86 SSTR2 (0.42) KMT2AMEN1TSHRHTR3EHTR3B
SCHEMBL12806225 0.78 ADRB1 (0.56) KMT2AMEN1TSHRHTR3EHTR3B
SCHEMBL30079445 0.78 SSTR5 (0.43) CYP2D6SSTR2C5AR1
SCHEMBL23555133 0.77 SLC6A2 (0.50) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL10500278 0.77 ALDH1A1 (0.57) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL15462283 0.76 ALDH1A1 (0.61) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL13537767 0.74 PIM2 (0.45) TSHRALDH1A1C5AR1
SCHEMBL29978762 0.74 KMT2A (0.57) KMT2AMEN1TSHRGAAALDH1A1

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
US-4225606-A ANTIARRHYTHEMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-09-30 — — US disclosed
US-4208418-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-17 — — US disclosed
US-4198411-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-15 — — US disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 — — US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 — — US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 — — US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 — — US disclosed
Send feedback